[2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone

C9H12FN3O — CID 126792730

IUPAC[2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCC1CF
InChIInChI=1S/C9H12FN3O/c10-4-8-2-1-3-13(8)9(14)7-5-11-12-6-7/h5-6,8H,1-4H2,(H,11,12)
InChIKeyJOTSNMABWMIDNI-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.98
Rot. Bonds2

About [2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone

[2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 126792730) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is [2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID126792730
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name[2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCCC1CF
InChIInChI=1S/C9H12FN3O/c10-4-8-2-1-3-13(8)9(14)7-5-11-12-6-7/h5-6,8H,1-4H2,(H,11,12)
InChIKeyJOTSNMABWMIDNI-UHFFFAOYSA-N
XLogP0.98
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
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
1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 99948671
N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
CID 122160170
2-(1H-pyrazol-4-ylcarbonyl)-2-azaspiro[4.4]nonane
CID 124205376
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617
N-(3,3-difluorocyclobutyl)-1H-pyrazole-4-carboxamide
CID 126776789
[(3S)-3-propyl-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 164631489
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 [2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 126792730) is [2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCCC1CF.
What is the InChIKey of [2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is JOTSNMABWMIDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-4-8-2-1-3-13(8)9(14)7-5-11-12-6-7/h5-6,8H,1-4H2,(H,11,12).
What are the key properties of [2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
[2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 197.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(fluoromethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 126792730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).