4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

C14H15ClN4O — CID 62077618

IUPAC4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c(C3CC3)c2N)c(Cl)c1
InChIInChI=1S/C14H15ClN4O/c1-7-2-5-10(9(15)6-7)17-14(20)13-11(16)12(18-19-13)8-3-4-8/h2,5-6,8H,3-4,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyNKNHAWAYRKFUHC-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.08
Rot. Bonds3

About 4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide

4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 62077618) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID62077618
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c(C3CC3)c2N)c(Cl)c1
InChIInChI=1S/C14H15ClN4O/c1-7-2-5-10(9(15)6-7)17-14(20)13-11(16)12(18-19-13)8-3-4-8/h2,5-6,8H,3-4,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyNKNHAWAYRKFUHC-UHFFFAOYSA-N
XLogP3.08
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 62075479
4-amino-5-cyclopropyl-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62077288
4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 65467132
4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077620
4-amino-N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077592
4-amino-N-(2-chloropyrimidin-4-yl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 116794674
4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide
CID 62075638
4-chloro-5-cyclopropyl-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
CID 71855633
4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077623
4-amino-N-(2-cyano-4-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 82012764
4-amino-5-cyclopropyl-N-(3-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62077622
4-amino-N-(2-chloro-4-methylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687766

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 62077618) is 4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2n[nH]c(C3CC3)c2N)c(Cl)c1.
What is the InChIKey of 4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is NKNHAWAYRKFUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-7-2-5-10(9(15)6-7)17-14(20)13-11(16)12(18-19-13)8-3-4-8/h2,5-6,8H,3-4,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).