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

C13H12ClFN4O — CID 62077620

IUPAC4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)Nc2cccc(Cl)c2F)n[nH]c1C1CC1
InChIInChI=1S/C13H12ClFN4O/c14-7-2-1-3-8(9(7)15)17-13(20)12-10(16)11(18-19-12)6-4-5-6/h1-3,6H,4-5,16H2,(H,17,20)(H,18,19)
InChIKeyRDLCLWDSSRVNOP-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.91
Rot. Bonds3

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

4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 62077620) has the molecular formula C13H12ClFN4O and a molecular weight of 294.72 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID62077620
Molecular FormulaC13H12ClFN4O
Molecular Weight294.72 g/mol
Exact Mass294.07
IUPAC Name4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)Nc2cccc(Cl)c2F)n[nH]c1C1CC1
InChIInChI=1S/C13H12ClFN4O/c14-7-2-1-3-8(9(7)15)17-13(20)12-10(16)11(18-19-12)6-4-5-6/h1-3,6H,4-5,16H2,(H,17,20)(H,18,19)
InChIKeyRDLCLWDSSRVNOP-UHFFFAOYSA-N
XLogP2.91
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-chlorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077128
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-5-cyclopropyl-N-(4-iodophenyl)-1H-pyrazole-3-carboxamide
CID 62075638
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
3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64524808
4-amino-N-(3-chloro-4-cyanophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077623
4-amino-5-cyclopropyl-N-[4-(dimethylamino)phenyl]-1H-pyrazole-3-carboxamide
CID 62078614
4-amino-5-cyclopropyl-N-(4-ethylphenyl)-1H-pyrazole-3-carboxamide
CID 62077284
4-amino-5-cyclopropyl-N-(2-methylpyrazol-3-yl)-1H-pyrazole-3-carboxamide
CID 62079918
4-amino-5-cyclopropyl-N-(2,2-difluoroethyl)-1H-pyrazole-3-carboxamide
CID 115405300

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 62077620) is 4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is Nc1c(C(=O)Nc2cccc(Cl)c2F)n[nH]c1C1CC1.
What is the InChIKey of 4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is RDLCLWDSSRVNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O/c14-7-2-1-3-8(9(7)15)17-13(20)12-10(16)11(18-19-12)6-4-5-6/h1-3,6H,4-5,16H2,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide?
4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 294.72 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).