N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide

C14H17N3O2 — CID 110482972

IUPACN-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(C)nn2CCO)c1
InChIInChI=1S/C14H17N3O2/c1-10-4-3-5-12(8-10)14(19)15-13-9-11(2)16-17(13)6-7-18/h3-5,8-9,18H,6-7H2,1-2H3,(H,15,19)
InChIKeyXLDZDRJFDWNDMQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.74
Rot. Bonds4

About N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide

N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide (PubChem CID 110482972) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
PubChem CID110482972
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(C)nn2CCO)c1
InChIInChI=1S/C14H17N3O2/c1-10-4-3-5-12(8-10)14(19)15-13-9-11(2)16-17(13)6-7-18/h3-5,8-9,18H,6-7H2,1-2H3,(H,15,19)
InChIKeyXLDZDRJFDWNDMQ-UHFFFAOYSA-N
XLogP1.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-phenylurea
CID 110483127
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-1-methyltriazole-4-carboxamide
CID 110482110
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide
CID 110479037
N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
CID 19346010
3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 43156305
3-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870125
N-(2-ethyl-5-methylpyrazol-3-yl)-3-nitrobenzamide
CID 45284644
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110479535
3-methyl-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide
CID 25281712
2-amino-N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbutanamide
CID 110481411

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide?
The IUPAC name of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide (CID 110482972) is N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(C)nn2CCO)c1.
What is the InChIKey of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide?
The InChIKey is XLDZDRJFDWNDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-4-3-5-12(8-10)14(19)15-13-9-11(2)16-17(13)6-7-18/h3-5,8-9,18H,6-7H2,1-2H3,(H,15,19).
What are the key properties of N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide?
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide has a molecular weight of 259.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide is sourced from PubChem (CID 110482972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).