3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

C20H28N4O — CID 78870645

IUPAC3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCN(CC(C)C)CC3)[nH]n2)cc1
InChIInChI=1S/C20H28N4O/c1-14(2)13-24-10-8-17(9-11-24)21-20(25)19-12-18(22-23-19)16-6-4-15(3)5-7-16/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyVDXAGCNHYDHIRJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.24
Rot. Bonds5

About 3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 78870645) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID78870645
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCN(CC(C)C)CC3)[nH]n2)cc1
InChIInChI=1S/C20H28N4O/c1-14(2)13-24-10-8-17(9-11-24)21-20(25)19-12-18(22-23-19)16-6-4-15(3)5-7-16/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyVDXAGCNHYDHIRJ-UHFFFAOYSA-N
XLogP3.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 78870645) is 3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NC3CCN(CC(C)C)CC3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is VDXAGCNHYDHIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)13-24-10-8-17(9-11-24)21-20(25)19-12-18(22-23-19)16-6-4-15(3)5-7-16/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78870645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).