3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

C8H11FN4O — CID 131020629

IUPAC3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1(F)CCNC1
InChIInChI=1S/C8H11FN4O/c9-8(1-2-10-5-8)7(14)13-6-3-11-12-4-6/h3-4,10H,1-2,5H2,(H,11,12)(H,13,14)
InChIKeyHXBAHNJWUQVNNE-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.05
Rot. Bonds2

About 3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide

3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 131020629) has the molecular formula C8H11FN4O and a molecular weight of 198.20 g/mol. Its IUPAC name is 3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID131020629
Molecular FormulaC8H11FN4O
Molecular Weight198.20 g/mol
Exact Mass198.09
IUPAC Name3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)C1(F)CCNC1
InChIInChI=1S/C8H11FN4O/c9-8(1-2-10-5-8)7(14)13-6-3-11-12-4-6/h3-4,10H,1-2,5H2,(H,11,12)(H,13,14)
InChIKeyHXBAHNJWUQVNNE-UHFFFAOYSA-N
XLogP0.05
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide;hydrochloride
CID 119944674
3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63138545
1-carbamothioyl-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 80589522
1-(1H-pyrazol-4-ylcarbamoyl)cycloheptane-1-carboxylic acid
CID 138033225
1-methyl-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 130688568
3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130643749
1-(aminomethyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 80588422
1H-pyrazol-4-ylcarbamic acid
CID 66846920
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1-(1H-pyrazol-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61209991
3-fluoro-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(1H-pyrazol-4-yl)azetidine-3-carboxamide
CID 172895443
2-oxo-2-(1H-pyrazol-4-ylamino)acetic acid
CID 43540349

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide (CID 131020629) is 3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is O=C(Nc1cn[nH]c1)C1(F)CCNC1.
What is the InChIKey of 3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is HXBAHNJWUQVNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN4O/c9-8(1-2-10-5-8)7(14)13-6-3-11-12-4-6/h3-4,10H,1-2,5H2,(H,11,12)(H,13,14).
What are the key properties of 3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide?
3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 198.20 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 131020629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).