2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C16H21N5O3 — CID 91830413

IUPAC2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCNC(=O)C1(NC(=O)c2cnc3cc(C)[nH]n3c2=O)CCCCC1
InChIInChI=1S/C16H21N5O3/c1-10-8-12-18-9-11(14(23)21(12)20-10)13(22)19-16(15(24)17-2)6-4-3-5-7-16/h8-9,20H,3-7H2,1-2H3,(H,17,24)(H,19,22)
InChIKeyNWEZARICSFNZLG-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.51
Rot. Bonds3

About 2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 91830413) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID91830413
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCNC(=O)C1(NC(=O)c2cnc3cc(C)[nH]n3c2=O)CCCCC1
InChIInChI=1S/C16H21N5O3/c1-10-8-12-18-9-11(14(23)21(12)20-10)13(22)19-16(15(24)17-2)6-4-3-5-7-16/h8-9,20H,3-7H2,1-2H3,(H,17,24)(H,19,22)
InChIKeyNWEZARICSFNZLG-UHFFFAOYSA-N
XLogP0.51
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 91830413) is 2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is CNC(=O)C1(NC(=O)c2cnc3cc(C)[nH]n3c2=O)CCCCC1.
What is the InChIKey of 2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is NWEZARICSFNZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10-8-12-18-9-11(14(23)21(12)20-10)13(22)19-16(15(24)17-2)6-4-3-5-7-16/h8-9,20H,3-7H2,1-2H3,(H,17,24)(H,19,22).
What are the key properties of 2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 91830413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).