N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C18H25ClN4O2 — CID 120923034

IUPACN-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCCOc1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-2-13-24-16-6-3-5-15(14-16)21-17(23)18(7-10-19-11-8-18)22-12-4-9-20-22;/h3-6,9,12,14,19H,2,7-8,10-11,13H2,1H3,(H,21,23);1H
InChIKeyHVSHPOAGEYUYJI-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.81
Rot. Bonds6

About N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120923034) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120923034
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC NameN-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCCCOc1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-2-13-24-16-6-3-5-15(14-16)21-17(23)18(7-10-19-11-8-18)22-12-4-9-20-22;/h3-6,9,12,14,19H,2,7-8,10-11,13H2,1H3,(H,21,23);1H
InChIKeyHVSHPOAGEYUYJI-UHFFFAOYSA-N
XLogP2.81
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918139
methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate
CID 120922883
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327
ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride
CID 120934173
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918876
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925648
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931422
N-(4-ethoxy-3-methoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919245
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012

Frequently Asked Questions

What is the IUPAC name of N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120923034) is N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CCCOc1cccc(NC(=O)C2(n3cccn3)CCNCC2)c1.Cl.
What is the InChIKey of N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is HVSHPOAGEYUYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-2-13-24-16-6-3-5-15(14-16)21-17(23)18(7-10-19-11-8-18)22-12-4-9-20-22;/h3-6,9,12,14,19H,2,7-8,10-11,13H2,1H3,(H,21,23);1H.
What are the key properties of N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120923034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).