N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C19H22N6O — CID 120939586

IUPACN-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCn1ccnc1-c1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1
InChIInChI=1S/C19H22N6O/c1-24-13-11-21-17(24)15-4-2-5-16(14-15)23-18(26)19(6-9-20-10-7-19)25-12-3-8-22-25/h2-5,8,11-14,20H,6-7,9-10H2,1H3,(H,23,26)
InChIKeyOBBPHDYTIPALJY-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.00
Rot. Bonds4

About N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120939586) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120939586
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCn1ccnc1-c1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1
InChIInChI=1S/C19H22N6O/c1-24-13-11-21-17(24)15-4-2-5-16(14-15)23-18(26)19(6-9-20-10-7-19)25-12-3-8-22-25/h2-5,8,11-14,20H,6-7,9-10H2,1H3,(H,23,26)
InChIKeyOBBPHDYTIPALJY-UHFFFAOYSA-N
XLogP2.00
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120916709
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926643
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119856062
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327
methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate
CID 120922883
N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923034
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988
4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 120939642
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 137095489
N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921641

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120939586) is N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is Cn1ccnc1-c1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1.
What is the InChIKey of N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is OBBPHDYTIPALJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-24-13-11-21-17(24)15-4-2-5-16(14-15)23-18(26)19(6-9-20-10-7-19)25-12-3-8-22-25/h2-5,8,11-14,20H,6-7,9-10H2,1H3,(H,23,26).
What are the key properties of N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120939586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).