N-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide

C12H15F2N5O3 — CID 123185812

IUPACN-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CNC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C12H15F2N5O3/c13-12(14)19-5-3-7(17-19)11(22)16-6-9(20)18-4-1-2-8(18)10(15)21/h3,5,8,12H,1-2,4,6H2,(H2,15,21)(H,16,22)
InChIKeyXHWXALMQSLPAQX-UHFFFAOYSA-N
MW315.28 g/mol
LogP-0.52
Rot. Bonds5

About N-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide

N-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 123185812) has the molecular formula C12H15F2N5O3 and a molecular weight of 315.28 g/mol. Its IUPAC name is N-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID123185812
Molecular FormulaC12H15F2N5O3
Molecular Weight315.28 g/mol
Exact Mass315.11
IUPAC NameN-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CNC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C12H15F2N5O3/c13-12(14)19-5-3-7(17-19)11(22)16-6-9(20)18-4-1-2-8(18)10(15)21/h3,5,8,12H,1-2,4,6H2,(H2,15,21)(H,16,22)
InChIKeyXHWXALMQSLPAQX-UHFFFAOYSA-N
XLogP-0.52
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrazole-3-carboxamide
CID 72151204
1-ethyl-N-[(7-oxoazepan-2-yl)methyl]pyrazole-3-carboxamide
CID 91920116
2-methyl-6-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyridin-4-one
CID 110257092
[(2S,4S)-4-fluoro-1-(2-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875994
[(2S,4S)-1-(2-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875996
[(2S,4S)-1-(1-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875997
Ethane-1,2-diamine, N,N'-(1-methyl-5-pyrazolylcarbonyl)-
CID 573224

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide (CID 123185812) is N-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide is NC(=O)C1CCCN1C(=O)CNC(=O)c1ccn(C(F)F)n1.
What is the InChIKey of N-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is XHWXALMQSLPAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O3/c13-12(14)19-5-3-7(17-19)11(22)16-6-9(20)18-4-1-2-8(18)10(15)21/h3,5,8,12H,1-2,4,6H2,(H2,15,21)(H,16,22).
What are the key properties of N-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
N-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 315.28 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-1-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 123185812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).