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

C19H21N5O — CID 46282369

IUPACN-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)N1CCCn2nc(-c3cccn3C)cc21
InChIInChI=1S/C19H21N5O/c1-14-7-3-4-8-15(14)20-19(25)23-11-6-12-24-18(23)13-16(21-24)17-9-5-10-22(17)2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,20,25)
InChIKeyGYZHVFZTYJTPPA-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.64
Rot. Bonds2

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

N-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide (PubChem CID 46282369) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
PubChem CID46282369
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)N1CCCn2nc(-c3cccn3C)cc21
InChIInChI=1S/C19H21N5O/c1-14-7-3-4-8-15(14)20-19(25)23-11-6-12-24-18(23)13-16(21-24)17-9-5-10-22(17)2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,20,25)
InChIKeyGYZHVFZTYJTPPA-UHFFFAOYSA-N
XLogP3.64
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide (CID 46282369) is N-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide is Cc1ccccc1NC(=O)N1CCCn2nc(-c3cccn3C)cc21.
What is the InChIKey of N-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
The InChIKey is GYZHVFZTYJTPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-7-3-4-8-15(14)20-19(25)23-11-6-12-24-18(23)13-16(21-24)17-9-5-10-22(17)2/h3-5,7-10,13H,6,11-12H2,1-2H3,(H,20,25).
What are the key properties of N-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
N-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 46282369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).