N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide

C14H24N4O — CID 104620483

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cc(C(C)(C)C)[nH]n2)CC1
InChIInChI=1S/C14H24N4O/c1-10-5-7-18(8-6-10)13(19)15-12-9-11(16-17-12)14(2,3)4/h9-10H,5-8H2,1-4H3,(H2,15,16,17,19)
InChIKeyITVQNLYYFONIBR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.97
Rot. Bonds1

About N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 104620483) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide
PubChem CID104620483
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cc(C(C)(C)C)[nH]n2)CC1
InChIInChI=1S/C14H24N4O/c1-10-5-7-18(8-6-10)13(19)15-12-9-11(16-17-12)14(2,3)4/h9-10H,5-8H2,1-4H3,(H2,15,16,17,19)
InChIKeyITVQNLYYFONIBR-UHFFFAOYSA-N
XLogP2.97
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide (CID 104620483) is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2cc(C(C)(C)C)[nH]n2)CC1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is ITVQNLYYFONIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-5-7-18(8-6-10)13(19)15-12-9-11(16-17-12)14(2,3)4/h9-10H,5-8H2,1-4H3,(H2,15,16,17,19).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 104620483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).