(2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide

C14H21FN4O2 — CID 120965520

IUPAC(2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1c(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cnn1CC(C)C
InChIInChI=1S/C14H21FN4O2/c1-8(2)6-19-9(3)11(5-17-19)14(21)18-7-10(15)4-12(18)13(16)20/h5,8,10,12H,4,6-7H2,1-3H3,(H2,16,20)/t10-,12+/m1/s1
InChIKeyAOBMDBDIGPHMPP-PWSUYJOCSA-N
MW296.35 g/mol
LogP0.89
Rot. Bonds4

About (2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 120965520) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide
PubChem CID120965520
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name(2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide
SMILESCc1c(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cnn1CC(C)C
InChIInChI=1S/C14H21FN4O2/c1-8(2)6-19-9(3)11(5-17-19)14(21)18-7-10(15)4-12(18)13(16)20/h5,8,10,12H,4,6-7H2,1-3H3,(H2,16,20)/t10-,12+/m1/s1
InChIKeyAOBMDBDIGPHMPP-PWSUYJOCSA-N
XLogP0.89
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643
1-cyclopentyl-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperazine
CID 72837249
N-[2-(cyclopropylamino)-2-oxoethyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72879541
N-{1-[2-(cyclopropylamino)-2-oxoethyl]-4-piperidinyl}-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72881294
N-Cyclopentyl-1-[(1,5-dimethylpyrazol-4-YL)methyl]-2-methylpyrrolidine-2-carboxamide
CID 110244221
N-(cyclobutylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 33381566
N-[2-(dimethylamino)ethyl]-1-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 42669803
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 91911097
N~4~-{(3S,4R)-4-[(Dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-YL}-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 91923203
5-(1-Ethyl-5-methylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201430
N,N'-ethane-1,2-diylbis(1-ethyl-3-methyl-1H-pyrazole-4-carboxamide)
CID 19576787
1,3-Dimethyl-N-(3-(2-oxopyrrolidin-1-yl)propyl)-1H-pyrazole-4-carboxamide
CID 42352840

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide (CID 120965520) is (2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide is Cc1c(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cnn1CC(C)C.
What is the InChIKey of (2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is AOBMDBDIGPHMPP-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H21FN4O2/c1-8(2)6-19-9(3)11(5-17-19)14(21)18-7-10(15)4-12(18)13(16)20/h5,8,10,12H,4,6-7H2,1-3H3,(H2,16,20)/t10-,12+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 120965520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).