1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide

C15H15F2N5O2 — CID 126841029

IUPAC1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide
SMILESO=C(Nc1cn[nH]c1)C1CCN(C(=O)Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H15F2N5O2/c16-10-3-11(17)5-12(4-10)21-15(24)22-2-1-9(8-22)14(23)20-13-6-18-19-7-13/h3-7,9H,1-2,8H2,(H,18,19)(H,20,23)(H,21,24)
InChIKeyLCUKDGRCCNUUQZ-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.18
Rot. Bonds3

About 1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide

1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide (PubChem CID 126841029) has the molecular formula C15H15F2N5O2 and a molecular weight of 335.31 g/mol. Its IUPAC name is 1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide
PubChem CID126841029
Molecular FormulaC15H15F2N5O2
Molecular Weight335.31 g/mol
Exact Mass335.12
IUPAC Name1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide
SMILESO=C(Nc1cn[nH]c1)C1CCN(C(=O)Nc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H15F2N5O2/c16-10-3-11(17)5-12(4-10)21-15(24)22-2-1-9(8-22)14(23)20-13-6-18-19-7-13/h3-7,9H,1-2,8H2,(H,18,19)(H,20,23)(H,21,24)
InChIKeyLCUKDGRCCNUUQZ-UHFFFAOYSA-N
XLogP2.18
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-N-phenyl-1-N-(1H-pyrazol-4-yl)piperidine-1,3-dicarboxamide
CID 95156850
(3R)-1-(1H-pyrazol-4-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81120212
(3S)-3-(4-methylpiperidine-1-carbonyl)-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 52858730
1-butanoyl-N-(1H-pyrazol-4-yl)piperidine-4-carboxamide
CID 87033981
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
4-[acetyl(methyl)amino]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75462464
N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 75442945
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
1-cyclopropyl-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429776
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-N-(3,5-difluorophenyl)-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 164638725
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide (CID 126841029) is 1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide is O=C(Nc1cn[nH]c1)C1CCN(C(=O)Nc2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide?
The InChIKey is LCUKDGRCCNUUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O2/c16-10-3-11(17)5-12(4-10)21-15(24)22-2-1-9(8-22)14(23)20-13-6-18-19-7-13/h3-7,9H,1-2,8H2,(H,18,19)(H,20,23)(H,21,24).
What are the key properties of 1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide?
1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide has a molecular weight of 335.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-difluorophenyl)-3-N-(1H-pyrazol-4-yl)pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 126841029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).