N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide

C7H8F3N3O — CID 127006745

IUPACN-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4(7(8,9)10)13-6(14)5-2-11-12-3-5/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKeyROHGWDKXTORSSZ-UHFFFAOYSA-N
MW207.16 g/mol
LogP1.09
Rot. Bonds2

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

N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 127006745) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID127006745
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC NameN-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c1-4(7(8,9)10)13-6(14)5-2-11-12-3-5/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKeyROHGWDKXTORSSZ-UHFFFAOYSA-N
XLogP1.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 13450481
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CID 43582334
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
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1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
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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
1-(1H-pyrazole-4-carbonyl)-4-(trifluoromethyl)piperidine
CID 65532420
N-(difluoromethyl)-1H-pyrazole-4-carboxamide
CID 66726653
N-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 66901756

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide (CID 127006745) is N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide is CC(NC(=O)c1cn[nH]c1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is ROHGWDKXTORSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-4(7(8,9)10)13-6(14)5-2-11-12-3-5/h2-4H,1H3,(H,11,12)(H,13,14).
What are the key properties of N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide?
N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 207.16 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 127006745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).