5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide

C32H37N7O2 — CID 71165104

IUPAC5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide
SMILESCc1c(-c2ccccc2)c(C(=O)NCCCN2CCCCC2)nn1-c1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C32H37N7O2/c1-24-29(26-11-4-2-5-12-26)30(31(40)34-18-9-21-38-19-6-3-7-20-38)37-39(24)28-15-13-27(14-16-28)36-32(41)35-23-25-10-8-17-33-22-25/h2,4-5,8,10-17,22H,3,6-7,9,18-21,23H2,1H3,(H,34,40)(H2,35,36,41)
InChIKeyKAIMVKUFVNUPSW-UHFFFAOYSA-N
MW551.70 g/mol
LogP5.17
Rot. Bonds10

About 5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide

5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide (PubChem CID 71165104) has the molecular formula C32H37N7O2 and a molecular weight of 551.70 g/mol. Its IUPAC name is 5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide
PubChem CID71165104
Molecular FormulaC32H37N7O2
Molecular Weight551.70 g/mol
Exact Mass551.30
IUPAC Name5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide
SMILESCc1c(-c2ccccc2)c(C(=O)NCCCN2CCCCC2)nn1-c1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C32H37N7O2/c1-24-29(26-11-4-2-5-12-26)30(31(40)34-18-9-21-38-19-6-3-7-20-38)37-39(24)28-15-13-27(14-16-28)36-32(41)35-23-25-10-8-17-33-22-25/h2,4-5,8,10-17,22H,3,6-7,9,18-21,23H2,1H3,(H,34,40)(H2,35,36,41)
InChIKeyKAIMVKUFVNUPSW-UHFFFAOYSA-N
XLogP5.17
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.70
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide (CID 71165104) is 5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide is Cc1c(-c2ccccc2)c(C(=O)NCCCN2CCCCC2)nn1-c1ccc(NC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
The InChIKey is KAIMVKUFVNUPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O2/c1-24-29(26-11-4-2-5-12-26)30(31(40)34-18-9-21-38-19-6-3-7-20-38)37-39(24)28-15-13-27(14-16-28)36-32(41)35-23-25-10-8-17-33-22-25/h2,4-5,8,10-17,22H,3,6-7,9,18-21,23H2,1H3,(H,34,40)(H2,35,36,41).
What are the key properties of 5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide?
5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide has a molecular weight of 551.70 g/mol, XLogP of 5.17, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-N-(3-piperidin-1-ylpropyl)-1-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 71165104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).