N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C18H28N6O — CID 120937616

IUPACN-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCn1nc(CC(C)(C)C)cc1NC(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C18H28N6O/c1-17(2,3)13-14-12-15(23(4)22-14)21-16(25)18(6-9-19-10-7-18)24-11-5-8-20-24/h5,8,11-12,19H,6-7,9-10,13H2,1-4H3,(H,21,25)
InChIKeyLCIHRWLRQLSTQN-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.92
Rot. Bonds4

About N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120937616) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120937616
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCn1nc(CC(C)(C)C)cc1NC(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C18H28N6O/c1-17(2,3)13-14-12-15(23(4)22-14)21-16(25)18(6-9-19-10-7-18)24-11-5-8-20-24/h5,8,11-12,19H,6-7,9-10,13H2,1-4H3,(H,21,25)
InChIKeyLCIHRWLRQLSTQN-UHFFFAOYSA-N
XLogP1.92
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205
N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925026
N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919791
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120928511
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 137095502
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-(2,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120916999
N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934450

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120937616) is N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide is Cn1nc(CC(C)(C)C)cc1NC(=O)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is LCIHRWLRQLSTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-17(2,3)13-14-12-15(23(4)22-14)21-16(25)18(6-9-19-10-7-18)24-11-5-8-20-24/h5,8,11-12,19H,6-7,9-10,13H2,1-4H3,(H,21,25).
What are the key properties of N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120937616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).