N-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide

C11H14F2N4O2 — CID 90189343

IUPACN-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(C(=O)[C@@H]2CCCN2)C(F)F)cn1
InChIInChI=1S/C11H14F2N4O2/c1-16-6-7(5-15-16)9(18)17(11(12)13)10(19)8-3-2-4-14-8/h5-6,8,11,14H,2-4H2,1H3/t8-/m0/s1
InChIKeyDVRCEZSUPVBSAC-QMMMGPOBSA-N
MW272.25 g/mol
LogP0.36
Rot. Bonds3

About N-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide

N-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide (PubChem CID 90189343) has the molecular formula C11H14F2N4O2 and a molecular weight of 272.25 g/mol. Its IUPAC name is N-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide
PubChem CID90189343
Molecular FormulaC11H14F2N4O2
Molecular Weight272.25 g/mol
Exact Mass272.11
IUPAC NameN-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(C(=O)[C@@H]2CCCN2)C(F)F)cn1
InChIInChI=1S/C11H14F2N4O2/c1-16-6-7(5-15-16)9(18)17(11(12)13)10(19)8-3-2-4-14-8/h5-6,8,11,14H,2-4H2,1H3/t8-/m0/s1
InChIKeyDVRCEZSUPVBSAC-QMMMGPOBSA-N
XLogP0.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-[(2S)-2-[[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1-methylpyrazole-4-carboxamide
CID 126678601
1-[3-(4-Methylpyrazol-1-yl)propyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 72018136
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-1-methyl-1H-pyrazole-4-carboxamide
CID 91922802
N-[(3S)-1-(1-cyclopropylpyrazole-4-carbonyl)pyrrolidin-3-yl]acetamide
CID 164631879
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]prop-2-enamide
CID 127267397
N-[1-[(2S)-2-[[6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1-methylpyrazole-4-carboxamide
CID 135315300
N-[1-[2-[[6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1-methylpyrazole-4-carboxamide
CID 135315301
N-[1-[(2S)-2-[[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1-methylpyrazole-4-carboxamide
CID 154984636
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopentylpyrazole-4-carboxamide
CID 154989113
1-(difluoromethyl)-N-propan-2-ylpyrazole-4-carboxamide
CID 164554366
N-butan-2-yl-1-(difluoromethyl)pyrazole-4-carboxamide
CID 164554439
N-[2-(2-cyano-4-methylpyrrolidin-1-yl)-2-oxoethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 167075460

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide?
The IUPAC name of N-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide (CID 90189343) is N-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide is Cn1cc(C(=O)N(C(=O)[C@@H]2CCCN2)C(F)F)cn1.
What is the InChIKey of N-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide?
The InChIKey is DVRCEZSUPVBSAC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14F2N4O2/c1-16-6-7(5-15-16)9(18)17(11(12)13)10(19)8-3-2-4-14-8/h5-6,8,11,14H,2-4H2,1H3/t8-/m0/s1.
What are the key properties of N-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide?
N-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide has a molecular weight of 272.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-1-methyl-N-[(2S)-pyrrolidine-2-carbonyl]pyrazole-4-carboxamide is sourced from PubChem (CID 90189343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).