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

C20H24ClFN6O — CID 120923913

IUPACN-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)cc1CNC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C20H23FN6O.ClH/c1-15-16(14-26(25-15)18-5-3-17(21)4-6-18)13-23-19(28)20(7-10-22-11-8-20)27-12-2-9-24-27;/h2-6,9,12,14,22H,7-8,10-11,13H2,1H3,(H,23,28);1H
InChIKeyITAVNCMKYRMCHX-UHFFFAOYSA-N
MW418.90 g/mol
LogP2.33
Rot. Bonds5

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

N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120923913) has the molecular formula C20H24ClFN6O and a molecular weight of 418.90 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120923913
Molecular FormulaC20H24ClFN6O
Molecular Weight418.90 g/mol
Exact Mass418.17
IUPAC NameN-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1nn(-c2ccc(F)cc2)cc1CNC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C20H23FN6O.ClH/c1-15-16(14-26(25-15)18-5-3-17(21)4-6-18)13-23-19(28)20(7-10-22-11-8-20)27-12-2-9-24-27;/h2-6,9,12,14,22H,7-8,10-11,13H2,1H3,(H,23,28);1H
InChIKeyITAVNCMKYRMCHX-UHFFFAOYSA-N
XLogP2.33
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120927589
N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921521
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-[(3-chloro-4-fluorophenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921977
N-[[4-(diethylcarbamoyl)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922734
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120941709
N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923697
N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120932903
N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932245
4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120920271
4-pyrazol-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120928380
N-[2-(1-phenylpyrazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929723

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120923913) is N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)C1(n2cccn2)CCNCC1.Cl.
What is the InChIKey of N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ITAVNCMKYRMCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O.ClH/c1-15-16(14-26(25-15)18-5-3-17(21)4-6-18)13-23-19(28)20(7-10-22-11-8-20)27-12-2-9-24-27;/h2-6,9,12,14,22H,7-8,10-11,13H2,1H3,(H,23,28);1H.
What are the key properties of N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 418.90 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120923913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).