N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

C20H26N4O2S — CID 95719498

IUPACN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H]3CC(=O)N(C4CCCCCC4)C3)n[nH]2)s1
InChIInChI=1S/C20H26N4O2S/c1-13-8-9-18(27-13)16-11-17(23-22-16)20(26)21-14-10-19(25)24(12-14)15-6-4-2-3-5-7-15/h8-9,11,14-15H,2-7,10,12H2,1H3,(H,21,26)(H,22,23)/t14-/m1/s1
InChIKeyWRGAWLRISBNAEJ-CQSZACIVSA-N
MW386.52 g/mol
LogP3.50
Rot. Bonds4

About N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 95719498) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID95719498
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H]3CC(=O)N(C4CCCCCC4)C3)n[nH]2)s1
InChIInChI=1S/C20H26N4O2S/c1-13-8-9-18(27-13)16-11-17(23-22-16)20(26)21-14-10-19(25)24(12-14)15-6-4-2-3-5-7-15/h8-9,11,14-15H,2-7,10,12H2,1H3,(H,21,26)(H,22,23)/t14-/m1/s1
InChIKeyWRGAWLRISBNAEJ-CQSZACIVSA-N
XLogP3.50
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 4-[[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]amino]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 95719498) is N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N[C@@H]3CC(=O)N(C4CCCCCC4)C3)n[nH]2)s1.
What is the InChIKey of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is WRGAWLRISBNAEJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-13-8-9-18(27-13)16-11-17(23-22-16)20(26)21-14-10-19(25)24(12-14)15-6-4-2-3-5-7-15/h8-9,11,14-15H,2-7,10,12H2,1H3,(H,21,26)(H,22,23)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95719498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).