N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide

C17H28N4O — CID 110244221

IUPACN-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide
SMILESCc1c(CN2CCCC2(C)C(=O)NC2CCCC2)cnn1C
InChIInChI=1S/C17H28N4O/c1-13-14(11-18-20(13)3)12-21-10-6-9-17(21,2)16(22)19-15-7-4-5-8-15/h11,15H,4-10,12H2,1-3H3,(H,19,22)
InChIKeyWIRPHRXXTRNNFC-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.14
Rot. Bonds4

About N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide

N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide (PubChem CID 110244221) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide
PubChem CID110244221
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide
SMILESCc1c(CN2CCCC2(C)C(=O)NC2CCCC2)cnn1C
InChIInChI=1S/C17H28N4O/c1-13-14(11-18-20(13)3)12-21-10-6-9-17(21,2)16(22)19-15-7-4-5-8-15/h11,15H,4-10,12H2,1-3H3,(H,19,22)
InChIKeyWIRPHRXXTRNNFC-UHFFFAOYSA-N
XLogP2.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide (CID 110244221) is N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide is Cc1c(CN2CCCC2(C)C(=O)NC2CCCC2)cnn1C.
What is the InChIKey of N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide?
The InChIKey is WIRPHRXXTRNNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13-14(11-18-20(13)3)12-21-10-6-9-17(21,2)16(22)19-15-7-4-5-8-15/h11,15H,4-10,12H2,1-3H3,(H,19,22).
What are the key properties of N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide?
N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110244221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).