N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide

C18H22N6O — CID 56745611

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C18H22N6O/c1-18(2,3)16-9-14(21-22-16)10-23(4)17(25)13-6-5-7-15(8-13)24-11-19-20-12-24/h5-9,11-12H,10H2,1-4H3,(H,21,22)
InChIKeyZGGUGFAJVZADPH-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.56
Rot. Bonds4

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide (PubChem CID 56745611) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
PubChem CID56745611
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C18H22N6O/c1-18(2,3)16-9-14(21-22-16)10-23(4)17(25)13-6-5-7-15(8-13)24-11-19-20-12-24/h5-9,11-12H,10H2,1-4H3,(H,21,22)
InChIKeyZGGUGFAJVZADPH-UHFFFAOYSA-N
XLogP2.56
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 50982286
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 91790635
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
CID 72844673
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
CID 77088347
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
CID 74233918
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide
CID 119071382
N-[(3S)-3-hydroxy-3-phenylpropyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
CID 97118561
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-pyrrol-1-ylpropyl)urea
CID 122563299
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 70722037
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea
CID 72919468
3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]propanoic acid
CID 120586281
(4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97272735

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide (CID 56745611) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide is CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cccc(-n2cnnc2)c1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is ZGGUGFAJVZADPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-18(2,3)16-9-14(21-22-16)10-23(4)17(25)13-6-5-7-15(8-13)24-11-19-20-12-24/h5-9,11-12H,10H2,1-4H3,(H,21,22).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 338.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 56745611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).