5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride

C22H24Cl2N4O2 — CID 171700054

IUPAC5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C(=O)N(Cc2ccccn2)CC2CCCO2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O2.ClH/c1-26-21(16-7-9-17(23)10-8-16)13-20(25-26)22(28)27(15-19-6-4-12-29-19)14-18-5-2-3-11-24-18;/h2-3,5,7-11,13,19H,4,6,12,14-15H2,1H3;1H
InChIKeyMURPCSMZHDCABL-UHFFFAOYSA-N
MW447.37 g/mol
LogP4.38
Rot. Bonds6

About 5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride

5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 171700054) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID171700054
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC Name5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCl.Cn1nc(C(=O)N(Cc2ccccn2)CC2CCCO2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN4O2.ClH/c1-26-21(16-7-9-17(23)10-8-16)13-20(25-26)22(28)27(15-19-6-4-12-29-19)14-18-5-2-3-11-24-18;/h2-3,5,7-11,13,19H,4,6,12,14-15H2,1H3;1H
InChIKeyMURPCSMZHDCABL-UHFFFAOYSA-N
XLogP4.38
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 92613543
3-(4-chlorophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46978882
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
6-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide;hydrochloride
CID 171672342
1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 46979247
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 131911633
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
CID 99953564
1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 42099205
3-(2-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92613662
4-(5-amino-3-methylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 92613637
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 131912029

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride (CID 171700054) is 5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride is Cl.Cn1nc(C(=O)N(Cc2ccccn2)CC2CCCO2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is MURPCSMZHDCABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2.ClH/c1-26-21(16-7-9-17(23)10-8-16)13-20(25-26)22(28)27(15-19-6-4-12-29-19)14-18-5-2-3-11-24-18;/h2-3,5,7-11,13,19H,4,6,12,14-15H2,1H3;1H.
What are the key properties of 5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 447.37 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 171700054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).