2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid

C16H24N6O4 — CID 154924086

IUPAC2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid
SMILESCNC(=O)Cc1nc(-c2cc(C3CC3)n(C)n2)n(CCCO)n1.O=CO
InChIInChI=1S/C15H22N6O2.CH2O2/c1-16-14(23)9-13-17-15(21(19-13)6-3-7-22)11-8-12(10-4-5-10)20(2)18-11;2-1-3/h8,10,22H,3-7,9H2,1-2H3,(H,16,23);1H,(H,2,3)
InChIKeyUQSAORPGNMRUIY-UHFFFAOYSA-N
MW364.41 g/mol
LogP-0.07
Rot. Bonds7

About 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid

2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid (PubChem CID 154924086) has the molecular formula C16H24N6O4 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid.

Molecular Properties

Compound Name2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid
PubChem CID154924086
Molecular FormulaC16H24N6O4
Molecular Weight364.41 g/mol
Exact Mass364.19
IUPAC Name2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid
SMILESCNC(=O)Cc1nc(-c2cc(C3CC3)n(C)n2)n(CCCO)n1.O=CO
InChIInChI=1S/C15H22N6O2.CH2O2/c1-16-14(23)9-13-17-15(21(19-13)6-3-7-22)11-8-12(10-4-5-10)20(2)18-11;2-1-3/h8,10,22H,3-7,9H2,1-2H3,(H,16,23);1H,(H,2,3)
InChIKeyUQSAORPGNMRUIY-UHFFFAOYSA-N
XLogP-0.07
TPSA135.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146045119
5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 146045366
5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-[(3,4-dimethoxyphenyl)methyl]-1-(2-methoxyethyl)-1,2,4-triazole
CID 146043625
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
2-[5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 155507538
2-[(5-cyclopropyl-1-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 119349056
2-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]acetic acid
CID 154882036
formic acid;N-methyl-2-[5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
CID 154920139
2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146040047
1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea
CID 138025385
2-(5-cyclopropyl-1-methylpyrazol-3-yl)-2-hydroxyacetic acid
CID 155894444
2-[1-butyl-5-[(2-methyl-3H-benzimidazol-5-yl)methyl]-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146044951

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid?
The IUPAC name of 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid (CID 154924086) is 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid.
What is the SMILES notation for 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid?
The canonical SMILES for 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid is CNC(=O)Cc1nc(-c2cc(C3CC3)n(C)n2)n(CCCO)n1.O=CO.
What is the InChIKey of 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid?
The InChIKey is UQSAORPGNMRUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2.CH2O2/c1-16-14(23)9-13-17-15(21(19-13)6-3-7-22)11-8-12(10-4-5-10)20(2)18-11;2-1-3/h8,10,22H,3-7,9H2,1-2H3,(H,16,23);1H,(H,2,3).
What are the key properties of 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid?
2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid has a molecular weight of 364.41 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid is sourced from PubChem (CID 154924086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).