5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide

C23H32N4O2 — CID 126775757

IUPAC5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)NCC2(N3CCCCC3)CCOCC2)c1C
InChIInChI=1S/C23H32N4O2/c1-18-8-4-5-9-21(18)27-19(2)20(16-25-27)22(28)24-17-23(10-14-29-15-11-23)26-12-6-3-7-13-26/h4-5,8-9,16H,3,6-7,10-15,17H2,1-2H3,(H,24,28)
InChIKeyJWVZOHRRIHOZGS-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.25
Rot. Bonds5

About 5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide

5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 126775757) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID126775757
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)NCC2(N3CCCCC3)CCOCC2)c1C
InChIInChI=1S/C23H32N4O2/c1-18-8-4-5-9-21(18)27-19(2)20(16-25-27)22(28)24-17-23(10-14-29-15-11-23)26-12-6-3-7-13-26/h4-5,8-9,16H,3,6-7,10-15,17H2,1-2H3,(H,24,28)
InChIKeyJWVZOHRRIHOZGS-UHFFFAOYSA-N
XLogP3.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide (CID 126775757) is 5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)NCC2(N3CCCCC3)CCOCC2)c1C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is JWVZOHRRIHOZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-18-8-4-5-9-21(18)27-19(2)20(16-25-27)22(28)24-17-23(10-14-29-15-11-23)26-12-6-3-7-13-26/h4-5,8-9,16H,3,6-7,10-15,17H2,1-2H3,(H,24,28).
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide?
5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 126775757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).