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

C14H12ClN5O — CID 62077623

IUPAC4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2n[nH]c(C3CC3)c2N)cc1Cl
InChIInChI=1S/C14H12ClN5O/c15-10-5-9(4-3-8(10)6-16)18-14(21)13-11(17)12(19-20-13)7-1-2-7/h3-5,7H,1-2,17H2,(H,18,21)(H,19,20)
InChIKeyNZXDAJODTVOCFT-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.65
Rot. Bonds3

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

4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 62077623) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID62077623
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2n[nH]c(C3CC3)c2N)cc1Cl
InChIInChI=1S/C14H12ClN5O/c15-10-5-9(4-3-8(10)6-16)18-14(21)13-11(17)12(19-20-13)7-1-2-7/h3-5,7H,1-2,17H2,(H,18,21)(H,19,20)
InChIKeyNZXDAJODTVOCFT-UHFFFAOYSA-N
XLogP2.65
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide
CID 62075638
4-amino-5-cyclopropyl-N-(2,6-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 65467132
4-amino-5-cyclopropyl-N-(2,5-dichlorophenyl)-1H-pyrazole-3-carboxamide
CID 62075479
4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077128
3-amino-N-(3-chloro-4-cyanophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115331
4-amino-N-(2-chloro-4-methylphenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077618
4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077620
N-(3-chloro-4-cyanophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861491
4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide
CID 43643375
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358
1-(4-aminophenyl)-3-(3-chloro-4-cyanophenyl)urea
CID 43469099
4-amino-5-cyclopropyl-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62077288

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 62077623) is 4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is N#Cc1ccc(NC(=O)c2n[nH]c(C3CC3)c2N)cc1Cl.
What is the InChIKey of 4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is NZXDAJODTVOCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c15-10-5-9(4-3-8(10)6-16)18-14(21)13-11(17)12(19-20-13)7-1-2-7/h3-5,7H,1-2,17H2,(H,18,21)(H,19,20).
What are the key properties of 4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 301.74 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).