5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide

C26H30N4O — CID 112828644

IUPAC5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1
InChIInChI=1S/C26H30N4O/c1-19-7-5-6-16-29(19)18-20-10-14-22(15-11-20)28-26(31)24-17-27-30(25(24)21-12-13-21)23-8-3-2-4-9-23/h2-4,8-11,14-15,17,19,21H,5-7,12-13,16,18H2,1H3,(H,28,31)
InChIKeyZWJRGNWWXWMRBF-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.38
Rot. Bonds6

About 5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide

5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 112828644) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID112828644
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1
InChIInChI=1S/C26H30N4O/c1-19-7-5-6-16-29(19)18-20-10-14-22(15-11-20)28-26(31)24-17-27-30(25(24)21-12-13-21)23-8-3-2-4-9-23/h2-4,8-11,14-15,17,19,21H,5-7,12-13,16,18H2,1H3,(H,28,31)
InChIKeyZWJRGNWWXWMRBF-UHFFFAOYSA-N
XLogP5.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide (CID 112828644) is 5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide is CC1CCCCN1Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZWJRGNWWXWMRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-19-7-5-6-16-29(19)18-20-10-14-22(15-11-20)28-26(31)24-17-27-30(25(24)21-12-13-21)23-8-3-2-4-9-23/h2-4,8-11,14-15,17,19,21H,5-7,12-13,16,18H2,1H3,(H,28,31).
What are the key properties of 5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide?
5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 112828644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).