3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide

C17H23N3O2 — CID 70724107

IUPAC3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESCN(Cc1ccn[nH]1)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C17H23N3O2/c1-17(2,22)9-7-13-5-4-6-14(11-13)16(21)20(3)12-15-8-10-18-19-15/h4-6,8,10-11,22H,7,9,12H2,1-3H3,(H,18,19)
InChIKeyVAWBPEDAEVRSKM-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.39
Rot. Bonds6

About 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide

3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide (PubChem CID 70724107) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
PubChem CID70724107
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESCN(Cc1ccn[nH]1)C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C17H23N3O2/c1-17(2,22)9-7-13-5-4-6-14(11-13)16(21)20(3)12-15-8-10-18-19-15/h4-6,8,10-11,22H,7,9,12H2,1-3H3,(H,18,19)
InChIKeyVAWBPEDAEVRSKM-UHFFFAOYSA-N
XLogP2.39
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
The IUPAC name of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide (CID 70724107) is 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
The canonical SMILES for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide is CN(Cc1ccn[nH]1)C(=O)c1cccc(CCC(C)(C)O)c1.
What is the InChIKey of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
The InChIKey is VAWBPEDAEVRSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,22)9-7-13-5-4-6-14(11-13)16(21)20(3)12-15-8-10-18-19-15/h4-6,8,10-11,22H,7,9,12H2,1-3H3,(H,18,19).
What are the key properties of 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide?
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide has a molecular weight of 301.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 70724107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).