N-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide

C19H20N4O — CID 16580894

IUPACN-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NC(c3ccccc3)C3CC3)ccc21
InChIInChI=1S/C19H20N4O/c1-2-23-17-11-10-15(12-16(17)21-22-23)19(24)20-18(14-8-9-14)13-6-4-3-5-7-13/h3-7,10-12,14,18H,2,8-9H2,1H3,(H,20,24)
InChIKeyLASAZJBYJKGQIB-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.33
Rot. Bonds5

About N-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide

N-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide (PubChem CID 16580894) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide
PubChem CID16580894
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NC(c3ccccc3)C3CC3)ccc21
InChIInChI=1S/C19H20N4O/c1-2-23-17-11-10-15(12-16(17)21-22-23)19(24)20-18(14-8-9-14)13-6-4-3-5-7-13/h3-7,10-12,14,18H,2,8-9H2,1H3,(H,20,24)
InChIKeyLASAZJBYJKGQIB-UHFFFAOYSA-N
XLogP3.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-ethylbenzotriazole-5-carbonyl)amino]pentanoic acid
CID 107563435
1-ethyl-N-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]benzotriazole-5-carboxamide
CID 26192842
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
1-ethyl-N-[(1R,2R)-2-methylcyclohexyl]benzotriazole-5-carboxamide
CID 26800374
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
1-ethyl-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzotriazole-5-carboxamide
CID 31886468
N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 22110318
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996052
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996053
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
N-(4-amino-3,5-dichlorophenyl)-1-ethylbenzotriazole-5-carboxamide
CID 47014537
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide (CID 16580894) is N-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)NC(c3ccccc3)C3CC3)ccc21.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide?
The InChIKey is LASAZJBYJKGQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-23-17-11-10-15(12-16(17)21-22-23)19(24)20-18(14-8-9-14)13-6-4-3-5-7-13/h3-7,10-12,14,18H,2,8-9H2,1H3,(H,20,24).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide?
N-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-1-ethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 16580894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).