(3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C19H28N4O2 — CID 95614761

IUPAC(3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(NC(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)n[nH]c1C1CC1
InChIInChI=1S/C19H28N4O2/c1-12-17(13-8-9-13)21-22-18(12)20-19(25)14-10-16(24)23(11-14)15-6-4-2-3-5-7-15/h13-15H,2-11H2,1H3,(H2,20,21,22,25)/t14-/m1/s1
InChIKeyKJGCLQHNYTYGPV-CQSZACIVSA-N
MW344.46 g/mol
LogP3.11
Rot. Bonds4

About (3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 95614761) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID95614761
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(NC(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)n[nH]c1C1CC1
InChIInChI=1S/C19H28N4O2/c1-12-17(13-8-9-13)21-22-18(12)20-19(25)14-10-16(24)23(11-14)15-6-4-2-3-5-7-15/h13-15H,2-11H2,1H3,(H2,20,21,22,25)/t14-/m1/s1
InChIKeyKJGCLQHNYTYGPV-CQSZACIVSA-N
XLogP3.11
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 95614761) is (3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is Cc1c(NC(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)n[nH]c1C1CC1.
What is the InChIKey of (3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KJGCLQHNYTYGPV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-12-17(13-8-9-13)21-22-18(12)20-19(25)14-10-16(24)23(11-14)15-6-4-2-3-5-7-15/h13-15H,2-11H2,1H3,(H2,20,21,22,25)/t14-/m1/s1.
What are the key properties of (3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cycloheptyl-N-(5-cyclopropyl-4-methyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95614761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).