N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide

C10H14N6O2 — CID 110482110

IUPACN-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cn(C)nn2)n(CCO)n1
InChIInChI=1S/C10H14N6O2/c1-7-5-9(16(13-7)3-4-17)11-10(18)8-6-15(2)14-12-8/h5-6,17H,3-4H2,1-2H3,(H,11,18)
InChIKeyUUIVSXASPCRGFO-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.44
Rot. Bonds4

About N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide

N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide (PubChem CID 110482110) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide
PubChem CID110482110
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC NameN-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cn(C)nn2)n(CCO)n1
InChIInChI=1S/C10H14N6O2/c1-7-5-9(16(13-7)3-4-17)11-10(18)8-6-15(2)14-12-8/h5-6,17H,3-4H2,1-2H3,(H,11,18)
InChIKeyUUIVSXASPCRGFO-UHFFFAOYSA-N
XLogP-0.44
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 110482972
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide
CID 110479037
1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
CID 110483127
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110479535
2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110481411
1-methyl-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 110691577
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
CID 110482309
N-(2-acetamidoethyl)-1-methyltriazole-4-carboxamide
CID 110691590
2-[3-methyl-5-(4-methylpentan-2-ylamino)pyrazol-1-yl]ethanol
CID 115925989
1-cyclohexyl-3-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]urea
CID 47079357
N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide
CID 136716967
N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide
CID 136716966

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide (CID 110482110) is N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide is Cc1cc(NC(=O)c2cn(C)nn2)n(CCO)n1.
What is the InChIKey of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide?
The InChIKey is UUIVSXASPCRGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-7-5-9(16(13-7)3-4-17)11-10(18)8-6-15(2)14-12-8/h5-6,17H,3-4H2,1-2H3,(H,11,18).
What are the key properties of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide?
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide has a molecular weight of 250.26 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 110482110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).