N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C16H24N6O — CID 120928511

IUPACN-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)C2(n3cccn3)CCNCC2)cn1
InChIInChI=1S/C16H24N6O/c1-15(2,3)22-12-13(11-19-22)20-14(23)16(5-8-17-9-6-16)21-10-4-7-18-21/h4,7,10-12,17H,5-6,8-9H2,1-3H3,(H,20,23)
InChIKeyJTWGMKXLHMKVGS-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.55
Rot. Bonds3

About N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120928511) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120928511
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)C2(n3cccn3)CCNCC2)cn1
InChIInChI=1S/C16H24N6O/c1-15(2,3)22-12-13(11-19-22)20-14(23)16(5-8-17-9-6-16)21-10-4-7-18-21/h4,7,10-12,17H,5-6,8-9H2,1-3H3,(H,20,23)
InChIKeyJTWGMKXLHMKVGS-UHFFFAOYSA-N
XLogP1.55
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925026
N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935848
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988
N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934450
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
dimethyl 5-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 120917447
N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930905
N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924487
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120928511) is N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is CC(C)(C)n1cc(NC(=O)C2(n3cccn3)CCNCC2)cn1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is JTWGMKXLHMKVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-15(2,3)22-12-13(11-19-22)20-14(23)16(5-8-17-9-6-16)21-10-4-7-18-21/h4,7,10-12,17H,5-6,8-9H2,1-3H3,(H,20,23).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120928511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).