N-(2-fluoroethyl)-1H-pyrazole-4-carboxamide

C6H8FN3O — CID 130478238

IUPACN-(2-fluoroethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCF)c1cn[nH]c1
InChIInChI=1S/C6H8FN3O/c7-1-2-8-6(11)5-3-9-10-4-5/h3-4H,1-2H2,(H,8,11)(H,9,10)
InChIKeyFNVJJADTIWMTDO-UHFFFAOYSA-N
MW157.15 g/mol
LogP0.11
Rot. Bonds3

About N-(2-fluoroethyl)-1H-pyrazole-4-carboxamide

N-(2-fluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 130478238) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID130478238
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC NameN-(2-fluoroethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCF)c1cn[nH]c1
InChIInChI=1S/C6H8FN3O/c7-1-2-8-6(11)5-3-9-10-4-5/h3-4H,1-2H2,(H,8,11)(H,9,10)
InChIKeyFNVJJADTIWMTDO-UHFFFAOYSA-N
XLogP0.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 50.11
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
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1H-Pyrazole-4-carboxamide
CID 17854756
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
5-Fluoropyrazole-4-carboxamide
CID 67420506
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
1-(1H-pyrazole-4-carbonyl)-4-(trifluoromethyl)piperidine
CID 65532420

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-1H-pyrazole-4-carboxamide (CID 130478238) is N-(2-fluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-1H-pyrazole-4-carboxamide is O=C(NCCF)c1cn[nH]c1.
What is the InChIKey of N-(2-fluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is FNVJJADTIWMTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O/c7-1-2-8-6(11)5-3-9-10-4-5/h3-4H,1-2H2,(H,8,11)(H,9,10).
What are the key properties of N-(2-fluoroethyl)-1H-pyrazole-4-carboxamide?
N-(2-fluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 157.15 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 130478238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).