7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C16H20N6O2 — CID 56738588

IUPAC7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2cncn2CC(C)C)cnc2cc(=O)[nH]n12
InChIInChI=1S/C16H20N6O2/c1-10(2)8-21-9-17-5-12(21)6-19-16(24)13-7-18-14-4-15(23)20-22(14)11(13)3/h4-5,7,9-10H,6,8H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyGYXUBUZXXSFMSF-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.11
Rot. Bonds5

About 7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 56738588) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID56738588
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2cncn2CC(C)C)cnc2cc(=O)[nH]n12
InChIInChI=1S/C16H20N6O2/c1-10(2)8-21-9-17-5-12(21)6-19-16(24)13-7-18-14-4-15(23)20-22(14)11(13)3/h4-5,7,9-10H,6,8H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyGYXUBUZXXSFMSF-UHFFFAOYSA-N
XLogP1.11
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 56738588) is 7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCc2cncn2CC(C)C)cnc2cc(=O)[nH]n12.
What is the InChIKey of 7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is GYXUBUZXXSFMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-10(2)8-21-9-17-5-12(21)6-19-16(24)13-7-18-14-4-15(23)20-22(14)11(13)3/h4-5,7,9-10H,6,8H2,1-3H3,(H,19,24)(H,20,23).
What are the key properties of 7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 56738588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).