N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide

C14H17N3O — CID 110464260

IUPACN-tert-butyl-4-(1H-pyrazol-4-yl)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C14H17N3O/c1-14(2,3)17-13(18)11-6-4-10(5-7-11)12-8-15-16-9-12/h4-9H,1-3H3,(H,15,16)(H,17,18)
InChIKeyAEGMECOGNKUXQS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.61
Rot. Bonds2

About N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide

N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 110464260) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(1H-pyrazol-4-yl)benzamide
PubChem CID110464260
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-tert-butyl-4-(1H-pyrazol-4-yl)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C14H17N3O/c1-14(2,3)17-13(18)11-6-4-10(5-7-11)12-8-15-16-9-12/h4-9H,1-3H3,(H,15,16)(H,17,18)
InChIKeyAEGMECOGNKUXQS-UHFFFAOYSA-N
XLogP2.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-(1H-pyrazol-4-yl)benzamide
CID 110464248
N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464321
N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110473761
ethyl 4-(1H-pyrazol-4-yl)benzoate
CID 121435985
N-(3-hydroxy-2-pyridinyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464333
4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 110464300
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692342
methyl 2-[methyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]acetate
CID 110464313
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
N-tert-butyl-4-carbamothioylbenzamide
CID 24710015
N-tert-butyl-4-(3-methylphenyl)benzamide
CID 59900664
4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide
CID 87581411

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide (CID 110464260) is N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide is CC(C)(C)NC(=O)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is AEGMECOGNKUXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,3)17-13(18)11-6-4-10(5-7-11)12-8-15-16-9-12/h4-9H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide?
N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 243.31 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 110464260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).