N-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide

C21H21N3O2 — CID 2953473

IUPACN-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H21N3O2/c25-21(22-14-18-12-7-13-26-18)19-15-24(17-10-5-2-6-11-17)23-20(19)16-8-3-1-4-9-16/h1-6,8-11,15,18H,7,12-14H2,(H,22,25)
InChIKeyJDJRPOMCNVXQDG-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.45
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide

N-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 2953473) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID2953473
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H21N3O2/c25-21(22-14-18-12-7-13-26-18)19-15-24(17-10-5-2-6-11-17)23-20(19)16-8-3-1-4-9-16/h1-6,8-11,15,18H,7,12-14H2,(H,22,25)
InChIKeyJDJRPOMCNVXQDG-UHFFFAOYSA-N
XLogP3.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide (CID 2953473) is N-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide is O=C(NCC1CCCO1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is JDJRPOMCNVXQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-21(22-14-18-12-7-13-26-18)19-15-24(17-10-5-2-6-11-17)23-20(19)16-8-3-1-4-9-16/h1-6,8-11,15,18H,7,12-14H2,(H,22,25).
What are the key properties of N-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide?
N-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 2953473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).