N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C16H24N6O — CID 120935848

IUPACN-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)Cn1cc(NC(=O)C2(n3cccn3)CCNCC2)cn1
InChIInChI=1S/C16H24N6O/c1-13(2)11-21-12-14(10-19-21)20-15(23)16(4-7-17-8-5-16)22-9-3-6-18-22/h3,6,9-10,12-13,17H,4-5,7-8,11H2,1-2H3,(H,20,23)
InChIKeyCUALXHZNRDCSOI-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.45
Rot. Bonds5

About N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120935848) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120935848
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(C)Cn1cc(NC(=O)C2(n3cccn3)CCNCC2)cn1
InChIInChI=1S/C16H24N6O/c1-13(2)11-21-12-14(10-19-21)20-15(23)16(4-7-17-8-5-16)22-9-3-6-18-22/h3,6,9-10,12-13,17H,4-5,7-8,11H2,1-2H3,(H,20,23)
InChIKeyCUALXHZNRDCSOI-UHFFFAOYSA-N
XLogP1.45
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925026
N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120928511
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988
N-(5-carbamoyl-1-methylpyrrol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924487
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120933669
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-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919791
N-[2-(dimethylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939947

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120935848) is N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CC(C)Cn1cc(NC(=O)C2(n3cccn3)CCNCC2)cn1.
What is the InChIKey of N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is CUALXHZNRDCSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-13(2)11-21-12-14(10-19-21)20-15(23)16(4-7-17-8-5-16)22-9-3-6-18-22/h3,6,9-10,12-13,17H,4-5,7-8,11H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)pyrazol-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120935848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).