N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide

C14H22N4O2 — CID 131936665

IUPACN-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCCN2CCCCC2=O)n[nH]1
InChIInChI=1S/C14H22N4O2/c1-2-5-11-10-12(17-16-11)14(20)15-7-9-18-8-4-3-6-13(18)19/h10H,2-9H2,1H3,(H,15,20)(H,16,17)
InChIKeyOBZBRZLUTLZFGO-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.10
Rot. Bonds6

About N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 131936665) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID131936665
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCCN2CCCCC2=O)n[nH]1
InChIInChI=1S/C14H22N4O2/c1-2-5-11-10-12(17-16-11)14(20)15-7-9-18-8-4-3-6-13(18)19/h10H,2-9H2,1H3,(H,15,20)(H,16,17)
InChIKeyOBZBRZLUTLZFGO-UHFFFAOYSA-N
XLogP1.10
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 70734717
N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 71886757
3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 115596365
N-[3-(3-oxopiperazin-1-yl)propyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 74232639
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 16673631
6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide
CID 131916547
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641
N-[2-(2-oxopiperidin-1-yl)ethyl]propanamide
CID 110722707
6-amino-N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 91789503
N-[(2R)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97124934
1-(4-fluorophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazole-3-carboxamide
CID 39515050
3-amino-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazine-2-carboxamide
CID 47191153

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 131936665) is N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NCCN2CCCCC2=O)n[nH]1.
What is the InChIKey of N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is OBZBRZLUTLZFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-5-11-10-12(17-16-11)14(20)15-7-9-18-8-4-3-6-13(18)19/h10H,2-9H2,1H3,(H,15,20)(H,16,17).
What are the key properties of N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 131936665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).