1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine

C17H23N3O — CID 43745459

IUPAC1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
SMILESCC(CNc1cnn(CC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-14(15-6-3-2-4-7-15)10-18-16-11-19-20(12-16)13-17-8-5-9-21-17/h2-4,6-7,11-12,14,17-18H,5,8-10,13H2,1H3
InChIKeyKIGDGRMHMLSJCG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.28
Rot. Bonds6

About 1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine

1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine (PubChem CID 43745459) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
PubChem CID43745459
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
SMILESCC(CNc1cnn(CC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C17H23N3O/c1-14(15-6-3-2-4-7-15)10-18-16-11-19-20(12-16)13-17-8-5-9-21-17/h2-4,6-7,11-12,14,17-18H,5,8-10,13H2,1H3
InChIKeyKIGDGRMHMLSJCG-UHFFFAOYSA-N
XLogP3.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine (CID 43745459) is 1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine is CC(CNc1cnn(CC2CCCO2)c1)c1ccccc1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine?
The InChIKey is KIGDGRMHMLSJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14(15-6-3-2-4-7-15)10-18-16-11-19-20(12-16)13-17-8-5-9-21-17/h2-4,6-7,11-12,14,17-18H,5,8-10,13H2,1H3.
What are the key properties of 1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine?
1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine is sourced from PubChem (CID 43745459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).