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

C11H10ClFN4O — CID 61468161

IUPAC3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H10ClFN4O/c1-5-9(10(14)17-16-5)11(18)15-6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,15,18)(H3,14,16,17)
InChIKeyDUYXSFQPEPKYIK-UHFFFAOYSA-N
MW268.68 g/mol
LogP2.35
Rot. Bonds2

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

3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 61468161) has the molecular formula C11H10ClFN4O and a molecular weight of 268.68 g/mol. Its IUPAC name is 3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID61468161
Molecular FormulaC11H10ClFN4O
Molecular Weight268.68 g/mol
Exact Mass268.05
IUPAC Name3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H10ClFN4O/c1-5-9(10(14)17-16-5)11(18)15-6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,15,18)(H3,14,16,17)
InChIKeyDUYXSFQPEPKYIK-UHFFFAOYSA-N
XLogP2.35
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.68
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65452569
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4-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 55177446
3-amino-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-4-carboxamide
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4-bromo-N-(4-chloro-3-fluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
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N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259853
3-amino-N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65452365
N-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide
CID 47228006
2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62787524
4-chloro-N-(4-chloro-3-fluorophenyl)-6-methylpyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 61468161) is 3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is DUYXSFQPEPKYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4O/c1-5-9(10(14)17-16-5)11(18)15-6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H,15,18)(H3,14,16,17).
What are the key properties of 3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 268.68 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chloro-3-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61468161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).