1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide

C21H26ClN5O2 — CID 19275347

IUPAC1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2ccn(COc3cc(C)c(Cl)c(C)c3)n2)c(C)n1
InChIInChI=1S/C21H26ClN5O2/c1-6-26-11-18(16(5)24-26)15(4)23-21(28)19-7-8-27(25-19)12-29-17-9-13(2)20(22)14(3)10-17/h7-11,15H,6,12H2,1-5H3,(H,23,28)
InChIKeyOAVQLOPNSOYOLR-UHFFFAOYSA-N
MW415.93 g/mol
LogP4.21
Rot. Bonds7

About 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 19275347) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
PubChem CID19275347
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC Name1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2ccn(COc3cc(C)c(Cl)c(C)c3)n2)c(C)n1
InChIInChI=1S/C21H26ClN5O2/c1-6-26-11-18(16(5)24-26)15(4)23-21(28)19-7-8-27(25-19)12-29-17-9-13(2)20(22)14(3)10-17/h7-11,15H,6,12H2,1-5H3,(H,23,28)
InChIKeyOAVQLOPNSOYOLR-UHFFFAOYSA-N
XLogP4.21
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-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

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270846
1-[(2,4-difluorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19279969
propan-2-yl 4-[[1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404548
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 4862750
N-[1-(4-butan-2-ylphenyl)propyl]-1-[(4-chloro-3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275324
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19265808
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(diethylamino)ethyl]pyrazole-3-carboxamide
CID 19275493
1-[(4-bromopyrazol-1-yl)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19271760
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19581523
2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19507426
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazole-3-carboxamide
CID 19275452
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
CID 19275232

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide (CID 19275347) is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide is CCn1cc(C(C)NC(=O)c2ccn(COc3cc(C)c(Cl)c(C)c3)n2)c(C)n1.
What is the InChIKey of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is OAVQLOPNSOYOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2/c1-6-26-11-18(16(5)24-26)15(4)23-21(28)19-7-8-27(25-19)12-29-17-9-13(2)20(22)14(3)10-17/h7-11,15H,6,12H2,1-5H3,(H,23,28).
What are the key properties of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 415.93 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19275347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).