2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide

C20H23N5O — CID 46282371

IUPAC2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
SMILESCn1cccc1-c1cc2n(n1)CCCN2C(=O)NCCc1ccccc1
InChIInChI=1S/C20H23N5O/c1-23-12-5-9-18(23)17-15-19-24(13-6-14-25(19)22-17)20(26)21-11-10-16-7-3-2-4-8-16/h2-5,7-9,12,15H,6,10-11,13-14H2,1H3,(H,21,26)
InChIKeyQYNLDMRWTPLKPT-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.05
Rot. Bonds4

About 2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide

2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide (PubChem CID 46282371) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
PubChem CID46282371
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
SMILESCn1cccc1-c1cc2n(n1)CCCN2C(=O)NCCc1ccccc1
InChIInChI=1S/C20H23N5O/c1-23-12-5-9-18(23)17-15-19-24(13-6-14-25(19)22-17)20(26)21-11-10-16-7-3-2-4-8-16/h2-5,7-9,12,15H,6,10-11,13-14H2,1H3,(H,21,26)
InChIKeyQYNLDMRWTPLKPT-UHFFFAOYSA-N
XLogP3.05
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide (CID 46282371) is 2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide is Cn1cccc1-c1cc2n(n1)CCCN2C(=O)NCCc1ccccc1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
The InChIKey is QYNLDMRWTPLKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-23-12-5-9-18(23)17-15-19-24(13-6-14-25(19)22-17)20(26)21-11-10-16-7-3-2-4-8-16/h2-5,7-9,12,15H,6,10-11,13-14H2,1H3,(H,21,26).
What are the key properties of 2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-N-(2-phenylethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 46282371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).