4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide

C12H18F2N4O — CID 138001537

IUPAC4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESCC(C)Cc1cc(NC(=O)C2CC(F)(F)CN2)n[nH]1
InChIInChI=1S/C12H18F2N4O/c1-7(2)3-8-4-10(18-17-8)16-11(19)9-5-12(13,14)6-15-9/h4,7,9,15H,3,5-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyKXGAZWBZLOUNNP-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.54
Rot. Bonds4

About 4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide

4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide (PubChem CID 138001537) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is 4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide
PubChem CID138001537
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESCC(C)Cc1cc(NC(=O)C2CC(F)(F)CN2)n[nH]1
InChIInChI=1S/C12H18F2N4O/c1-7(2)3-8-4-10(18-17-8)16-11(19)9-5-12(13,14)6-15-9/h4,7,9,15H,3,5-6H2,1-2H3,(H2,16,17,18,19)
InChIKeyKXGAZWBZLOUNNP-UHFFFAOYSA-N
XLogP1.54
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide (CID 138001537) is 4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide is CC(C)Cc1cc(NC(=O)C2CC(F)(F)CN2)n[nH]1.
What is the InChIKey of 4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is KXGAZWBZLOUNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c1-7(2)3-8-4-10(18-17-8)16-11(19)9-5-12(13,14)6-15-9/h4,7,9,15H,3,5-6H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide?
4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 138001537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).