N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide

C15H18ClN3O — CID 115694776

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)ccc1Cl
InChIInChI=1S/C15H18ClN3O/c1-9-7-10(5-6-11(9)16)14(20)17-13-8-12(18-19-13)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19,20)
InChIKeyODBNNZJCBFVYGF-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.92
Rot. Bonds2

About N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide (PubChem CID 115694776) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide
PubChem CID115694776
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)ccc1Cl
InChIInChI=1S/C15H18ClN3O/c1-9-7-10(5-6-11(9)16)14(20)17-13-8-12(18-19-13)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19,20)
InChIKeyODBNNZJCBFVYGF-UHFFFAOYSA-N
XLogP3.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide
CID 104620011
4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide
CID 104618642
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 115589899
N-(5-tert-butyl-1H-pyrazol-3-yl)-9-oxofluorene-2-carboxamide
CID 55977209
N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 47343702
2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 104618611
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzamide
CID 115603601
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 171352339
3-chloro-4-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55031730
4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 113357499
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide
CID 112688842
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide (CID 115694776) is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide is Cc1cc(C(=O)Nc2cc(C(C)(C)C)[nH]n2)ccc1Cl.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide?
The InChIKey is ODBNNZJCBFVYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9-7-10(5-6-11(9)16)14(20)17-13-8-12(18-19-13)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19,20).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide has a molecular weight of 291.78 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide is sourced from PubChem (CID 115694776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).