1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

C18H19FN4O2 — CID 126769711

IUPAC1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)c(F)c1)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C18H19FN4O2/c19-14-11-13(6-7-15(14)23-10-2-8-20-23)21-17(24)16-3-1-9-22(16)18(25)12-4-5-12/h2,6-8,10-12,16H,1,3-5,9H2,(H,21,24)
InChIKeyBJZOAWVXQMYQRT-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.35
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 126769711) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID126769711
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)c(F)c1)C1CCCN1C(=O)C1CC1
InChIInChI=1S/C18H19FN4O2/c19-14-11-13(6-7-15(14)23-10-2-8-20-23)21-17(24)16-3-1-9-22(16)18(25)12-4-5-12/h2,6-8,10-12,16H,1,3-5,9H2,(H,21,24)
InChIKeyBJZOAWVXQMYQRT-UHFFFAOYSA-N
XLogP2.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide
CID 119859342
1-(cyclohexanecarbonyl)-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 55762135
(4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95326882
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51963079
(2R)-1-(cyclopropanecarbonyl)-N-(3,5-difluoro-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 96545458
(2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 42194479
N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55819342
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55763673
(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131898261
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 119859368

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide (CID 126769711) is 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(-n2cccn2)c(F)c1)C1CCCN1C(=O)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is BJZOAWVXQMYQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c19-14-11-13(6-7-15(14)23-10-2-8-20-23)21-17(24)16-3-1-9-22(16)18(25)12-4-5-12/h2,6-8,10-12,16H,1,3-5,9H2,(H,21,24).
What are the key properties of 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 126769711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).