4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide

C26H32N4O3 — CID 24622479

IUPAC4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC2CCN(C(C)C)CC2)cc1OC
InChIInChI=1S/C26H32N4O3/c1-18(2)29-14-12-20(13-15-29)27-26(31)25-22(17-30(28-25)21-8-6-5-7-9-21)19-10-11-23(32-3)24(16-19)33-4/h5-11,16-18,20H,12-15H2,1-4H3,(H,27,31)
InChIKeyJVMHXSIYYJAJIC-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.16
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide

4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide (PubChem CID 24622479) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
PubChem CID24622479
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC2CCN(C(C)C)CC2)cc1OC
InChIInChI=1S/C26H32N4O3/c1-18(2)29-14-12-20(13-15-29)27-26(31)25-22(17-30(28-25)21-8-6-5-7-9-21)19-10-11-23(32-3)24(16-19)33-4/h5-11,16-18,20H,12-15H2,1-4H3,(H,27,31)
InChIKeyJVMHXSIYYJAJIC-UHFFFAOYSA-N
XLogP4.16
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 1478012
4-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 16594232
4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 24594799
4-(3,4-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 55495112
4-(3,4-dimethoxyphenyl)-N-(4-morpholin-4-ylbutyl)-1-phenylpyrazole-3-carboxamide
CID 55847917
N-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 25398478
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 16598960
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 16613867
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazole-3-carboxamide
CID 26238797
4-(3,4-dimethoxyphenyl)-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55968914
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide
CID 46441310
2-(3,4-dimethoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 24633525

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide (CID 24622479) is 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide is COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC2CCN(C(C)C)CC2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is JVMHXSIYYJAJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-18(2)29-14-12-20(13-15-29)27-26(31)25-22(17-30(28-25)21-8-6-5-7-9-21)19-10-11-23(32-3)24(16-19)33-4/h5-11,16-18,20H,12-15H2,1-4H3,(H,27,31).
What are the key properties of 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide?
4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 24622479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).