N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide

C15H22F2N4O — CID 127752425

IUPACN-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide
SMILESCCC(C)n1ncc(NC(=O)N2CCC(F)(F)C2)c1C1CC1
InChIInChI=1S/C15H22F2N4O/c1-3-10(2)21-13(11-4-5-11)12(8-18-21)19-14(22)20-7-6-15(16,17)9-20/h8,10-11H,3-7,9H2,1-2H3,(H,19,22)
InChIKeyGIGBJBJXOJXYBH-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.60
Rot. Bonds4

About N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide

N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide (PubChem CID 127752425) has the molecular formula C15H22F2N4O and a molecular weight of 312.36 g/mol. Its IUPAC name is N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide
PubChem CID127752425
Molecular FormulaC15H22F2N4O
Molecular Weight312.36 g/mol
Exact Mass312.18
IUPAC NameN-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide
SMILESCCC(C)n1ncc(NC(=O)N2CCC(F)(F)C2)c1C1CC1
InChIInChI=1S/C15H22F2N4O/c1-3-10(2)21-13(11-4-5-11)12(8-18-21)19-14(22)20-7-6-15(16,17)9-20/h8,10-11H,3-7,9H2,1-2H3,(H,19,22)
InChIKeyGIGBJBJXOJXYBH-UHFFFAOYSA-N
XLogP3.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide?
The IUPAC name of N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide (CID 127752425) is N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide is CCC(C)n1ncc(NC(=O)N2CCC(F)(F)C2)c1C1CC1.
What is the InChIKey of N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide?
The InChIKey is GIGBJBJXOJXYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O/c1-3-10(2)21-13(11-4-5-11)12(8-18-21)19-14(22)20-7-6-15(16,17)9-20/h8,10-11H,3-7,9H2,1-2H3,(H,19,22).
What are the key properties of N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide?
N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 127752425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).