N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide

C15H19N3O2 — CID 165126948

IUPACN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)C1=CC=CCC1
InChIInChI=1S/C15H19N3O2/c19-15(12-5-2-1-3-6-12)17-13-9-16-18(10-13)11-14-7-4-8-20-14/h1-2,5,9-10,14H,3-4,6-8,11H2,(H,17,19)
InChIKeyWSWUCUCGAPCRCA-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.28
Rot. Bonds4

About N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide (PubChem CID 165126948) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide
PubChem CID165126948
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)C1=CC=CCC1
InChIInChI=1S/C15H19N3O2/c19-15(12-5-2-1-3-6-12)17-13-9-16-18(10-13)11-14-7-4-8-20-14/h1-2,5,9-10,14H,3-4,6-8,11H2,(H,17,19)
InChIKeyWSWUCUCGAPCRCA-UHFFFAOYSA-N
XLogP2.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide (CID 165126948) is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide is O=C(Nc1cnn(CC2CCCO2)c1)C1=CC=CCC1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is WSWUCUCGAPCRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-15(12-5-2-1-3-6-12)17-13-9-16-18(10-13)11-14-7-4-8-20-14/h1-2,5,9-10,14H,3-4,6-8,11H2,(H,17,19).
What are the key properties of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide?
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 165126948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).