(2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride

C8H12ClFN4O — CID 130774690

IUPAC(2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccn[nH]1)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C8H11FN4O.ClH/c9-5-3-6(10-4-5)8(14)12-7-1-2-11-13-7;/h1-2,5-6,10H,3-4H2,(H2,11,12,13,14);1H/t5-,6+;/m0./s1
InChIKeyMFZLJSQWHCSVRS-RIHPBJNCSA-N
MW234.66 g/mol
LogP0.47
Rot. Bonds2

About (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride

(2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 130774690) has the molecular formula C8H12ClFN4O and a molecular weight of 234.66 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID130774690
Molecular FormulaC8H12ClFN4O
Molecular Weight234.66 g/mol
Exact Mass234.07
IUPAC Name(2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccn[nH]1)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C8H11FN4O.ClH/c9-5-3-6(10-4-5)8(14)12-7-1-2-11-13-7;/h1-2,5-6,10H,3-4H2,(H2,11,12,13,14);1H/t5-,6+;/m0./s1
InChIKeyMFZLJSQWHCSVRS-RIHPBJNCSA-N
XLogP0.47
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-4-fluoro-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 130653783
(2S,4R)-4-fluoro-N-(2-methyl-4-pyridinyl)pyrrolidine-2-carboxamide
CID 126623254
(2S,4R)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 59436422
(2S,4R)-N-(6-acetyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 126623430
N-(1H-pyrazol-5-yl)cyclooctanecarboxamide
CID 65023446
N-(1H-pyrazol-5-yl)cycloheptanecarboxamide
CID 60616368
methyl 2-chloro-6-[[(2S,4R)-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-4-carboxylate
CID 126623338
N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 175776752
(2S,4R)-4-fluoro-N-[6-(trifluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxamide;hydrochloride
CID 126623026
(2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 154802243
N-(4-bromo-5-methyl-1,3-thiazol-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 140776835
N-(1H-pyrazol-5-yl)thiane-2-carboxamide
CID 80595534

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 130774690) is (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccn[nH]1)[C@H]1C[C@H](F)CN1.
What is the InChIKey of (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is MFZLJSQWHCSVRS-RIHPBJNCSA-N. The full InChI is InChI=1S/C8H11FN4O.ClH/c9-5-3-6(10-4-5)8(14)12-7-1-2-11-13-7;/h1-2,5-6,10H,3-4H2,(H2,11,12,13,14);1H/t5-,6+;/m0./s1.
What are the key properties of (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride?
(2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 234.66 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-N-(1H-pyrazol-5-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 130774690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).