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

C20H23N5O3 — CID 46282368

IUPACN-(2,5-dimethoxyphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCCn3nc(-c4cccn4C)cc32)c1
InChIInChI=1S/C20H23N5O3/c1-23-9-4-6-17(23)15-13-19-24(10-5-11-25(19)22-15)20(26)21-16-12-14(27-2)7-8-18(16)28-3/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,21,26)
InChIKeyBDMMKFYCRNPDND-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.35
Rot. Bonds4

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

N-(2,5-dimethoxyphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide (PubChem CID 46282368) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
PubChem CID46282368
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)N2CCCn3nc(-c4cccn4C)cc32)c1
InChIInChI=1S/C20H23N5O3/c1-23-9-4-6-17(23)15-13-19-24(10-5-11-25(19)22-15)20(26)21-16-12-14(27-2)7-8-18(16)28-3/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,21,26)
InChIKeyBDMMKFYCRNPDND-UHFFFAOYSA-N
XLogP3.35
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide (CID 46282368) is N-(2,5-dimethoxyphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide is COc1ccc(OC)c(NC(=O)N2CCCn3nc(-c4cccn4C)cc32)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
The InChIKey is BDMMKFYCRNPDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-23-9-4-6-17(23)15-13-19-24(10-5-11-25(19)22-15)20(26)21-16-12-14(27-2)7-8-18(16)28-3/h4,6-9,12-13H,5,10-11H2,1-3H3,(H,21,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(1-methylpyrrol-2-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 46282368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).