5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide

C15H22N6O2 — CID 91765865

IUPAC5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC2CC(c3nnc(CO)n3C)C2)c1C
InChIInChI=1S/C15H22N6O2/c1-4-11-8(2)13(19-17-11)15(23)16-10-5-9(6-10)14-20-18-12(7-22)21(14)3/h9-10,22H,4-7H2,1-3H3,(H,16,23)(H,17,19)
InChIKeyJIGRBNYKXOFOKW-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.58
Rot. Bonds5

About 5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide

5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide (PubChem CID 91765865) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide
PubChem CID91765865
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC2CC(c3nnc(CO)n3C)C2)c1C
InChIInChI=1S/C15H22N6O2/c1-4-11-8(2)13(19-17-11)15(23)16-10-5-9(6-10)14-20-18-12(7-22)21(14)3/h9-10,22H,4-7H2,1-3H3,(H,16,23)(H,17,19)
InChIKeyJIGRBNYKXOFOKW-UHFFFAOYSA-N
XLogP0.58
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-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

Related Compounds

CID 91762941
CID 91762941
CID 91783782
CID 91783782
CID 91777906
CID 91777906
CID 91781294
CID 91781294
CID 91786984
CID 91786984
CID 72854393
CID 72854393
CID 124212168
CID 124212168
CID 132421033
CID 132421033
CID 91773714
CID 91773714
CID 91773959
CID 91773959
CID 46959230
CID 46959230
CID 56865873
CID 56865873

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide (CID 91765865) is 5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NC2CC(c3nnc(CO)n3C)C2)c1C.
What is the InChIKey of 5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is JIGRBNYKXOFOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-4-11-8(2)13(19-17-11)15(23)16-10-5-9(6-10)14-20-18-12(7-22)21(14)3/h9-10,22H,4-7H2,1-3H3,(H,16,23)(H,17,19).
What are the key properties of 5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide?
5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91765865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).