4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide

C16H21N3O — CID 137435463

IUPAC4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESCC(C)(C)Cc1ccc(C(=O)NCc2ccn[nH]2)cc1
InChIInChI=1S/C16H21N3O/c1-16(2,3)10-12-4-6-13(7-5-12)15(20)17-11-14-8-9-18-19-14/h4-9H,10-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyZSRIZIXAOPNIRJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.93
Rot. Bonds4

About 4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide

4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide (PubChem CID 137435463) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide
PubChem CID137435463
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide
SMILESCC(C)(C)Cc1ccc(C(=O)NCc2ccn[nH]2)cc1
InChIInChI=1S/C16H21N3O/c1-16(2,3)10-12-4-6-13(7-5-12)15(20)17-11-14-8-9-18-19-14/h4-9H,10-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyZSRIZIXAOPNIRJ-UHFFFAOYSA-N
XLogP2.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 47204233
N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 60975279
6-(dimethylamino)-N-(1H-pyrazol-5-ylmethyl)pyridine-3-carboxamide
CID 47351026
N-(1H-pyrazol-5-ylmethyl)-4-(tetrazol-1-yl)benzamide
CID 47285769
2-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridine-4-carboxamide
CID 103764061
3-bromo-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 103706824
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
4-bromo-3-nitro-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 61283343
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
CID 110731764
2-(3-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 62500320
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61284513

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide (CID 137435463) is 4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide is CC(C)(C)Cc1ccc(C(=O)NCc2ccn[nH]2)cc1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide?
The InChIKey is ZSRIZIXAOPNIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,3)10-12-4-6-13(7-5-12)15(20)17-11-14-8-9-18-19-14/h4-9H,10-11H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide?
4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide has a molecular weight of 271.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 137435463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).