N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide

C18H17ClN4O2 — CID 4776497

IUPACN-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(C)c(OCn2ccc(C(=O)Nc3ccc(Cl)cn3)n2)c1
InChIInChI=1S/C18H17ClN4O2/c1-12-3-4-13(2)16(9-12)25-11-23-8-7-15(22-23)18(24)21-17-6-5-14(19)10-20-17/h3-10H,11H2,1-2H3,(H,20,21,24)
InChIKeyGLTJNFHBVIUGDU-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.84
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 4776497) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID4776497
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(C)c(OCn2ccc(C(=O)Nc3ccc(Cl)cn3)n2)c1
InChIInChI=1S/C18H17ClN4O2/c1-12-3-4-13(2)16(9-12)25-11-23-8-7-15(22-23)18(24)21-17-6-5-14(19)10-20-17/h3-10H,11H2,1-2H3,(H,20,21,24)
InChIKeyGLTJNFHBVIUGDU-UHFFFAOYSA-N
XLogP3.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]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

1-[(2,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide
CID 19272772
1-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 19582689
N-(3-chloro-2-methylphenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776810
N-(4-bromo-2-fluorophenyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19272770
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19274455
N-(5-chloro-2-methylphenyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270117
N-(cyclopropylmethyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 95756234
1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19272941
1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 19277689
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275548
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273004
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 4776790

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide (CID 4776497) is N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide is Cc1ccc(C)c(OCn2ccc(C(=O)Nc3ccc(Cl)cn3)n2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is GLTJNFHBVIUGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-12-3-4-13(2)16(9-12)25-11-23-8-7-15(22-23)18(24)21-17-6-5-14(19)10-20-17/h3-10H,11H2,1-2H3,(H,20,21,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4776497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).