N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C20H25ClN6O2 — CID 120927589

IUPACN-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(-n2ccc(CNC(=O)C3(n4cccn4)CCNCC3)n2)cc1.Cl
InChIInChI=1S/C20H24N6O2.ClH/c1-28-18-5-3-17(4-6-18)25-14-7-16(24-25)15-22-19(27)20(8-11-21-12-9-20)26-13-2-10-23-26;/h2-7,10,13-14,21H,8-9,11-12,15H2,1H3,(H,22,27);1H
InChIKeyRSTJOIPJROPJSR-UHFFFAOYSA-N
MW416.91 g/mol
LogP1.89
Rot. Bonds6

About N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120927589) has the molecular formula C20H25ClN6O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120927589
Molecular FormulaC20H25ClN6O2
Molecular Weight416.91 g/mol
Exact Mass416.17
IUPAC NameN-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(-n2ccc(CNC(=O)C3(n4cccn4)CCNCC3)n2)cc1.Cl
InChIInChI=1S/C20H24N6O2.ClH/c1-28-18-5-3-17(4-6-18)25-14-7-16(24-25)15-22-19(27)20(8-11-21-12-9-20)26-13-2-10-23-26;/h2-7,10,13-14,21H,8-9,11-12,15H2,1H3,(H,22,27);1H
InChIKeyRSTJOIPJROPJSR-UHFFFAOYSA-N
XLogP1.89
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919956
N-[2-(1-phenylpyrazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929723
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923643
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120927856
N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923913
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938055
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120927526
N-[[3-(methoxymethyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923550
N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918265
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934852

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120927589) is N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is COc1ccc(-n2ccc(CNC(=O)C3(n4cccn4)CCNCC3)n2)cc1.Cl.
What is the InChIKey of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is RSTJOIPJROPJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2.ClH/c1-28-18-5-3-17(4-6-18)25-14-7-16(24-25)15-22-19(27)20(8-11-21-12-9-20)26-13-2-10-23-26;/h2-7,10,13-14,21H,8-9,11-12,15H2,1H3,(H,22,27);1H.
What are the key properties of N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 416.91 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120927589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).