N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide

C23H21ClN6O3 — CID 19277888

IUPACN-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCc1cc(Cl)ccc1OCn1ccc(C(=O)Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1
InChIInChI=1S/C23H21ClN6O3/c1-15-13-16(24)3-8-21(15)33-14-30-12-10-20(28-30)23(32)26-18-6-4-17(5-7-18)25-22(31)19-9-11-29(2)27-19/h3-13H,14H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyRZSZEVHQEXGHEL-UHFFFAOYSA-N
MW464.91 g/mol
LogP4.12
Rot. Bonds7

About N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide

N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 19277888) has the molecular formula C23H21ClN6O3 and a molecular weight of 464.91 g/mol. Its IUPAC name is N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID19277888
Molecular FormulaC23H21ClN6O3
Molecular Weight464.91 g/mol
Exact Mass464.14
IUPAC NameN-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCc1cc(Cl)ccc1OCn1ccc(C(=O)Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1
InChIInChI=1S/C23H21ClN6O3/c1-15-13-16(24)3-8-21(15)33-14-30-12-10-20(28-30)23(32)26-18-6-4-17(5-7-18)25-22(31)19-9-11-29(2)27-19/h3-13H,14H2,1-2H3,(H,25,31)(H,26,32)
InChIKeyRZSZEVHQEXGHEL-UHFFFAOYSA-N
XLogP4.12
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.91
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-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

1-[(4-chloro-2-methylphenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19277678
N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277666
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-fluoro-4-methylphenyl)pyrazole-3-carboxamide
CID 4865633
1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19277716
1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 19277689
N-[4-[[1-[(2-chloro-4-nitrophenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19272676
1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19274382
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277832
N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277353
N-(5-chloro-2-methylphenyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270117
1-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19277824
1-[(4-chloro-2-methylphenoxy)methyl]-N-[3-(4-chlorophenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
CID 19277764

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide (CID 19277888) is N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide is Cc1cc(Cl)ccc1OCn1ccc(C(=O)Nc2ccc(NC(=O)c3ccn(C)n3)cc2)n1.
What is the InChIKey of N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is RZSZEVHQEXGHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN6O3/c1-15-13-16(24)3-8-21(15)33-14-30-12-10-20(28-30)23(32)26-18-6-4-17(5-7-18)25-22(31)19-9-11-29(2)27-19/h3-13H,14H2,1-2H3,(H,25,31)(H,26,32).
What are the key properties of N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 464.91 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19277888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).