N-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide

C12H20N4O — CID 71926134

IUPACN-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCC(C)Cn1cc(NC(=O)N2CCCC2)cn1
InChIInChI=1S/C12H20N4O/c1-10(2)8-16-9-11(7-13-16)14-12(17)15-5-3-4-6-15/h7,9-10H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyPGFKXBRNUCYZBE-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.17
Rot. Bonds3

About N-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide

N-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide (PubChem CID 71926134) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
PubChem CID71926134
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCC(C)Cn1cc(NC(=O)N2CCCC2)cn1
InChIInChI=1S/C12H20N4O/c1-10(2)8-16-9-11(7-13-16)14-12(17)15-5-3-4-6-15/h7,9-10H,3-6,8H2,1-2H3,(H,14,17)
InChIKeyPGFKXBRNUCYZBE-UHFFFAOYSA-N
XLogP2.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide (CID 71926134) is N-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide is CC(C)Cn1cc(NC(=O)N2CCCC2)cn1.
What is the InChIKey of N-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is PGFKXBRNUCYZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(2)8-16-9-11(7-13-16)14-12(17)15-5-3-4-6-15/h7,9-10H,3-6,8H2,1-2H3,(H,14,17).
What are the key properties of N-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
N-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)pyrazol-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71926134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).