3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

C24H37ClN4O — CID 119825474

IUPAC3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C)C1CCNCC1.Cl
InChIInChI=1S/C24H36N4O.ClH/c1-5-16-27(22-12-14-25-15-13-22)24(29)11-10-23-19(3)26-28(20(23)4)17-21-8-6-18(2)7-9-21;/h6-9,22,25H,5,10-17H2,1-4H3;1H
InChIKeyAXXHULKLGCYGOW-UHFFFAOYSA-N
MW433.04 g/mol
LogP4.20
Rot. Bonds8

About 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (PubChem CID 119825474) has the molecular formula C24H37ClN4O and a molecular weight of 433.04 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
PubChem CID119825474
Molecular FormulaC24H37ClN4O
Molecular Weight433.04 g/mol
Exact Mass432.27
IUPAC Name3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C)C1CCNCC1.Cl
InChIInChI=1S/C24H36N4O.ClH/c1-5-16-27(22-12-14-25-15-13-22)24(29)11-10-23-19(3)26-28(20(23)4)17-21-8-6-18(2)7-9-21;/h6-9,22,25H,5,10-17H2,1-4H3;1H
InChIKeyAXXHULKLGCYGOW-UHFFFAOYSA-N
XLogP4.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.04
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825475
5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide
CID 119823684
4-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119824958
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119826337
2-[butan-2-yl-[3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanoyl]amino]acetic acid
CID 119955113
3-naphthalen-2-yl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825837
3-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824116
2-cyclopropyl-2-[3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propanoylamino]acetic acid
CID 119213968
1-[2-(1-aminoethyl)piperidin-1-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-one;hydrochloride
CID 119436856
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335
3-imidazol-1-yl-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
CID 119823501
3-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylpropanamide
CID 119825341

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The IUPAC name of 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (CID 119825474) is 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.
What is the SMILES notation for 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The canonical SMILES for 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is CCCN(C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C)C1CCNCC1.Cl.
What is the InChIKey of 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The InChIKey is AXXHULKLGCYGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O.ClH/c1-5-16-27(22-12-14-25-15-13-22)24(29)11-10-23-19(3)26-28(20(23)4)17-21-8-6-18(2)7-9-21;/h6-9,22,25H,5,10-17H2,1-4H3;1H.
What are the key properties of 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride has a molecular weight of 433.04 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is sourced from PubChem (CID 119825474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).