N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide

C17H26N4O2 — CID 110249134

IUPACN-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide
SMILESCc1nn(C)cc1C(=O)N1CCCC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C17H26N4O2/c1-12-14(11-20(3)19-12)15(22)21-10-6-9-17(21,2)16(23)18-13-7-4-5-8-13/h11,13H,4-10H2,1-3H3,(H,18,23)
InChIKeyTVTJJSYWENLJSA-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.78
Rot. Bonds3

About N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide

N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide (PubChem CID 110249134) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide
PubChem CID110249134
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide
SMILESCc1nn(C)cc1C(=O)N1CCCC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C17H26N4O2/c1-12-14(11-20(3)19-12)15(22)21-10-6-9-17(21,2)16(23)18-13-7-4-5-8-13/h11,13H,4-10H2,1-3H3,(H,18,23)
InChIKeyTVTJJSYWENLJSA-UHFFFAOYSA-N
XLogP1.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide (CID 110249134) is N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide is Cc1nn(C)cc1C(=O)N1CCCC1(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide?
The InChIKey is TVTJJSYWENLJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-14(11-20(3)19-12)15(22)21-10-6-9-17(21,2)16(23)18-13-7-4-5-8-13/h11,13H,4-10H2,1-3H3,(H,18,23).
What are the key properties of N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide?
N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110249134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).