7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H22N6O — CID 19327901

IUPAC7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)NCCCn4nccc4C)cnn23)cc1
InChIInChI=1S/C21H22N6O/c1-15-4-6-17(7-5-15)19-9-11-22-20-18(14-25-27(19)20)21(28)23-10-3-13-26-16(2)8-12-24-26/h4-9,11-12,14H,3,10,13H2,1-2H3,(H,23,28)
InChIKeyLFQLXCCDMVFEAQ-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.03
Rot. Bonds6

About 7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19327901) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19327901
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)NCCCn4nccc4C)cnn23)cc1
InChIInChI=1S/C21H22N6O/c1-15-4-6-17(7-5-15)19-9-11-22-20-18(14-25-27(19)20)21(28)23-10-3-13-26-16(2)8-12-24-26/h4-9,11-12,14H,3,10,13H2,1-2H3,(H,23,28)
InChIKeyLFQLXCCDMVFEAQ-UHFFFAOYSA-N
XLogP3.03
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19327901) is 7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2ccnc3c(C(=O)NCCCn4nccc4C)cnn23)cc1.
What is the InChIKey of 7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LFQLXCCDMVFEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-15-4-6-17(7-5-15)19-9-11-22-20-18(14-25-27(19)20)21(28)23-10-3-13-26-16(2)8-12-24-26/h4-9,11-12,14H,3,10,13H2,1-2H3,(H,23,28).
What are the key properties of 7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19327901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).