N-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide

C7H10FN3O — CID 131089262

IUPACN-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCC(CF)NC(=O)c1cn[nH]c1
InChIInChI=1S/C7H10FN3O/c1-5(2-8)11-7(12)6-3-9-10-4-6/h3-5H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyPYISPTAQUWRRPG-UHFFFAOYSA-N
MW171.18 g/mol
LogP0.50
Rot. Bonds3

About N-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide

N-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 131089262) has the molecular formula C7H10FN3O and a molecular weight of 171.18 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID131089262
Molecular FormulaC7H10FN3O
Molecular Weight171.18 g/mol
Exact Mass171.08
IUPAC NameN-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCC(CF)NC(=O)c1cn[nH]c1
InChIInChI=1S/C7H10FN3O/c1-5(2-8)11-7(12)6-3-9-10-4-6/h3-5H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyPYISPTAQUWRRPG-UHFFFAOYSA-N
XLogP0.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
N-((1H-pyrazol-4-yl)methyl)acetamide
CID 60756752
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
CID 122160170
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
N-Methyl-1H-pyrazole-4-carboxamide
CID 43582329
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804
N-(difluoromethyl)-1H-pyrazole-4-carboxamide
CID 66726653
N-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 66901756
5-fluoro-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 67120909

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide (CID 131089262) is N-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide is CC(CF)NC(=O)c1cn[nH]c1.
What is the InChIKey of N-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is PYISPTAQUWRRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-5(2-8)11-7(12)6-3-9-10-4-6/h3-5H,2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of N-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide?
N-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 171.18 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 131089262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).