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

C10H8ClFN4O — CID 64524808

IUPAC3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2cccc(Cl)c2F)[nH]n1
InChIInChI=1S/C10H8ClFN4O/c11-5-2-1-3-6(9(5)12)14-10(17)7-4-8(13)16-15-7/h1-4H,(H,14,17)(H3,13,15,16)
InChIKeyPZGDBEJKVKUVSS-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.04
Rot. Bonds2

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

3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 64524808) has the molecular formula C10H8ClFN4O and a molecular weight of 254.65 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID64524808
Molecular FormulaC10H8ClFN4O
Molecular Weight254.65 g/mol
Exact Mass254.04
IUPAC Name3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2cccc(Cl)c2F)[nH]n1
InChIInChI=1S/C10H8ClFN4O/c11-5-2-1-3-6(9(5)12)14-10(17)7-4-8(13)16-15-7/h1-4H,(H,14,17)(H3,13,15,16)
InChIKeyPZGDBEJKVKUVSS-UHFFFAOYSA-N
XLogP2.04
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 55041638
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide
CID 64524610
4-amino-N-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 62077620
3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64524613
3-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64525794
4-acetyl-N-(3-chloro-2-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 9090081
(3-chloro-2-fluorophenyl)urea
CID 28969166
3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide
CID 64525415
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 28969294
N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532988

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 64524808) is 3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)Nc2cccc(Cl)c2F)[nH]n1.
What is the InChIKey of 3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PZGDBEJKVKUVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O/c11-5-2-1-3-6(9(5)12)14-10(17)7-4-8(13)16-15-7/h1-4H,(H,14,17)(H3,13,15,16).
What are the key properties of 3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 254.65 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).