5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide

C25H30ClN5O2 — CID 160863636

IUPAC5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)c(Cl)c3)c2C(N)=O)cc(C)c1C
InChIInChI=1S/C25H30ClN5O2/c1-15-10-19(11-16(2)17(15)3)14-28-25-23(24(27)32)21(29-30-25)13-18-4-5-22(20(26)12-18)31-6-8-33-9-7-31/h4-5,10-12H,6-9,13-14H2,1-3H3,(H2,27,32)(H2,28,29,30)
InChIKeyIQNACXSSNCRPOP-UHFFFAOYSA-N
MW468.00 g/mol
LogP4.13
Rot. Bonds7

About 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide

5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 160863636) has the molecular formula C25H30ClN5O2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
PubChem CID160863636
Molecular FormulaC25H30ClN5O2
Molecular Weight468.00 g/mol
Exact Mass467.21
IUPAC Name5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)c(Cl)c3)c2C(N)=O)cc(C)c1C
InChIInChI=1S/C25H30ClN5O2/c1-15-10-19(11-16(2)17(15)3)14-28-25-23(24(27)32)21(29-30-25)13-18-4-5-22(20(26)12-18)31-6-8-33-9-7-31/h4-5,10-12H,6-9,13-14H2,1-3H3,(H2,27,32)(H2,28,29,30)
InChIKeyIQNACXSSNCRPOP-UHFFFAOYSA-N
XLogP4.13
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 147417771
5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 157916683
5-[[4-(4-fluoropiperidin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 158010141
N-[5-(4-amino-3-chlorophenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 70654457
N-[5-(4-amino-3-chloro-5-methylphenyl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 70654897
3-amino-5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 148056588
5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 157227218
5-[[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 159007676
5-[(4-aminophenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 159038311
5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 160863634
5-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 161079082
4-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-3-chloro-N-(2-morpholin-4-ylethyl)benzamide;ethane
CID 176658967

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide (CID 160863636) is 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)c(Cl)c3)c2C(N)=O)cc(C)c1C.
What is the InChIKey of 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The InChIKey is IQNACXSSNCRPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2/c1-15-10-19(11-16(2)17(15)3)14-28-25-23(24(27)32)21(29-30-25)13-18-4-5-22(20(26)12-18)31-6-8-33-9-7-31/h4-5,10-12H,6-9,13-14H2,1-3H3,(H2,27,32)(H2,28,29,30).
What are the key properties of 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide has a molecular weight of 468.00 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 160863636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).