[2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone

C9H11F2N3O — CID 4767757

IUPAC[2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnn1C(F)F)N1CCCC1
InChIInChI=1S/C9H11F2N3O/c10-9(11)14-7(3-4-12-14)8(15)13-5-1-2-6-13/h3-4,9H,1-2,5-6H2
InChIKeyXVCMCPAGZYRCPX-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.51
Rot. Bonds2

About [2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone

[2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 4767757) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is [2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID4767757
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name[2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnn1C(F)F)N1CCCC1
InChIInChI=1S/C9H11F2N3O/c10-9(11)14-7(3-4-12-14)8(15)13-5-1-2-6-13/h3-4,9H,1-2,5-6H2
InChIKeyXVCMCPAGZYRCPX-UHFFFAOYSA-N
XLogP1.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
CID 19479124
[2-(difluoromethyl)pyrazol-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 138034005
[2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19479126
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
CID 19333506
1-[(12S,13S,14S)-6-[2-(difluoromethyl)pyrazole-3-carbonyl]-13,14-dihydroxy-12-methoxy-1-oxa-6,10-diazacyclopentadec-10-yl]ethanone
CID 155995690
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(difluoromethyl)pyrazol-3-yl]methanone
CID 70770931
[2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70729638
N-[1-[[(4S)-1-[2-(difluoromethyl)pyrazole-3-carbonyl]-4-hydroxyazepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125013574
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
(3-chlorophenyl)-[4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 136515481
N-[1-[2-(difluoromethyl)pyrazole-3-carbonyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 78086979
N-[(3S,4R)-1-[2-(difluoromethyl)pyrazole-3-carbonyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70771739

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone (CID 4767757) is [2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccnn1C(F)F)N1CCCC1.
What is the InChIKey of [2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XVCMCPAGZYRCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-9(11)14-7(3-4-12-14)8(15)13-5-1-2-6-13/h3-4,9H,1-2,5-6H2.
What are the key properties of [2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
[2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 215.20 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4767757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).