1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide

C15H18N4O2 — CID 82733530

IUPAC1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(-c2ccccc2N)n1)C1CCOC1
InChIInChI=1S/C15H18N4O2/c1-18(11-7-9-21-10-11)15(20)13-6-8-19(17-13)14-5-3-2-4-12(14)16/h2-6,8,11H,7,9-10,16H2,1H3
InChIKeyFQNRBBLGIVLRMN-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.32
Rot. Bonds3

About 1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide

1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide (PubChem CID 82733530) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide
PubChem CID82733530
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(-c2ccccc2N)n1)C1CCOC1
InChIInChI=1S/C15H18N4O2/c1-18(11-7-9-21-10-11)15(20)13-6-8-19(17-13)14-5-3-2-4-12(14)16/h2-6,8,11H,7,9-10,16H2,1H3
InChIKeyFQNRBBLGIVLRMN-UHFFFAOYSA-N
XLogP1.32
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide (CID 82733530) is 1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide is CN(C(=O)c1ccn(-c2ccccc2N)n1)C1CCOC1.
What is the InChIKey of 1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide?
The InChIKey is FQNRBBLGIVLRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18(11-7-9-21-10-11)15(20)13-6-8-19(17-13)14-5-3-2-4-12(14)16/h2-6,8,11H,7,9-10,16H2,1H3.
What are the key properties of 1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide?
1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 82733530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).