1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide

C26H32N4O — CID 112823781

IUPAC1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCN(CCc3ccccc3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C26H32N4O/c1-2-25-24(19-27-30(25)20-22-11-7-4-8-12-22)26(31)28-23-14-17-29(18-15-23)16-13-21-9-5-3-6-10-21/h3-12,19,23H,2,13-18,20H2,1H3,(H,28,31)
InChIKeyPWQYDLZQPIWOAP-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.93
Rot. Bonds8

About 1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 112823781) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID112823781
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCN(CCc3ccccc3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C26H32N4O/c1-2-25-24(19-27-30(25)20-22-11-7-4-8-12-22)26(31)28-23-14-17-29(18-15-23)16-13-21-9-5-3-6-10-21/h3-12,19,23H,2,13-18,20H2,1H3,(H,28,31)
InChIKeyPWQYDLZQPIWOAP-UHFFFAOYSA-N
XLogP3.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide (CID 112823781) is 1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide is CCc1c(C(=O)NC2CCN(CCc3ccccc3)CC2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is PWQYDLZQPIWOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-2-25-24(19-27-30(25)20-22-11-7-4-8-12-22)26(31)28-23-14-17-29(18-15-23)16-13-21-9-5-3-6-10-21/h3-12,19,23H,2,13-18,20H2,1H3,(H,28,31).
What are the key properties of 1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 112823781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).