1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide

C15H16ClN3O2 — CID 19271346

IUPAC1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)NC3CC3)n2)ccc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-10-8-12(4-5-13(10)16)21-9-19-7-6-14(18-19)15(20)17-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,17,20)
InChIKeyFXKDJGYUHFAWAW-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.77
Rot. Bonds5

About 1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide

1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide (PubChem CID 19271346) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide
PubChem CID19271346
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)NC3CC3)n2)ccc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-10-8-12(4-5-13(10)16)21-9-19-7-6-14(18-19)15(20)17-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,17,20)
InChIKeyFXKDJGYUHFAWAW-UHFFFAOYSA-N
XLogP2.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-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-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 4865245
1-[(4-chloro-3-methylphenoxy)methyl]-N-[2-(diethylamino)ethyl]pyrazole-3-carboxamide
CID 19274319
1-[(4-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 4774524
dimethyl 5-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19271311
N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273362
1-[(4-bromophenoxy)methyl]-N-(4-methylcyclohexyl)pyrazole-3-carboxamide
CID 4774912
1-[(4-chloro-3-methylphenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-3-carboxamide
CID 17021937
1-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19396452
1-[(4-chloro-3-methylphenoxy)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide
CID 19271313
N-[1-(1-adamantyl)propyl]-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19584601
ethyl 4-[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]piperazine-1-carboxylate
CID 19472796
N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4867173

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide (CID 19271346) is 1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide is Cc1cc(OCn2ccc(C(=O)NC3CC3)n2)ccc1Cl.
What is the InChIKey of 1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide?
The InChIKey is FXKDJGYUHFAWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-10-8-12(4-5-13(10)16)21-9-19-7-6-14(18-19)15(20)17-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,17,20).
What are the key properties of 1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide?
1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopropylpyrazole-3-carboxamide is sourced from PubChem (CID 19271346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).