N-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide

C12H20N4O — CID 104620450

IUPACN-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide
SMILESCCCc1cc(NC(=O)N2CCCCC2)n[nH]1
InChIInChI=1S/C12H20N4O/c1-2-6-10-9-11(15-14-10)13-12(17)16-7-4-3-5-8-16/h9H,2-8H2,1H3,(H2,13,14,15,17)
InChIKeyVTWHGKDHUZVBLT-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.38
Rot. Bonds3

About N-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide

N-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 104620450) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide
PubChem CID104620450
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide
SMILESCCCc1cc(NC(=O)N2CCCCC2)n[nH]1
InChIInChI=1S/C12H20N4O/c1-2-6-10-9-11(15-14-10)13-12(17)16-7-4-3-5-8-16/h9H,2-8H2,1H3,(H2,13,14,15,17)
InChIKeyVTWHGKDHUZVBLT-UHFFFAOYSA-N
XLogP2.38
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide (CID 104620450) is N-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide is CCCc1cc(NC(=O)N2CCCCC2)n[nH]1.
What is the InChIKey of N-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is VTWHGKDHUZVBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-6-10-9-11(15-14-10)13-12(17)16-7-4-3-5-8-16/h9H,2-8H2,1H3,(H2,13,14,15,17).
What are the key properties of N-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
N-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1H-pyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 104620450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).