N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H21N7O2 — CID 91781302

IUPACN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)c2cnn3cc(C)cnc23)C1
InChIInChI=1S/C17H21N7O2/c1-3-23-14(9-25)21-22-15(23)11-4-12(5-11)20-17(26)13-7-19-24-8-10(2)6-18-16(13)24/h6-8,11-12,25H,3-5,9H2,1-2H3,(H,20,26)
InChIKeyGAAZVFZKCUOYGG-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.82
Rot. Bonds5

About N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 91781302) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID91781302
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC NameN-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1c(CO)nnc1C1CC(NC(=O)c2cnn3cc(C)cnc23)C1
InChIInChI=1S/C17H21N7O2/c1-3-23-14(9-25)21-22-15(23)11-4-12(5-11)20-17(26)13-7-19-24-8-10(2)6-18-16(13)24/h6-8,11-12,25H,3-5,9H2,1-2H3,(H,20,26)
InChIKeyGAAZVFZKCUOYGG-UHFFFAOYSA-N
XLogP0.82
TPSA110.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 91781302) is N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1c(CO)nnc1C1CC(NC(=O)c2cnn3cc(C)cnc23)C1.
What is the InChIKey of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GAAZVFZKCUOYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-3-23-14(9-25)21-22-15(23)11-4-12(5-11)20-17(26)13-7-19-24-8-10(2)6-18-16(13)24/h6-8,11-12,25H,3-5,9H2,1-2H3,(H,20,26).
What are the key properties of N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91781302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).