trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide

C19H18N4O2 — CID 95283593

IUPACtrans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cccc(-n2cnnc2)c1
InChIInChI=1S/C19H18N4O2/c1-25-18-8-3-2-7-15(18)16-10-17(16)19(24)22-13-5-4-6-14(9-13)23-11-20-21-12-23/h2-9,11-12,16-17H,10H2,1H3,(H,22,24)/t16-,17+/m1/s1
InChIKeyZGQCZDCEPVKEPM-SJORKVTESA-N
MW334.38 g/mol
LogP3.02
Rot. Bonds5

About trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 95283593) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID95283593
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Nametrans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cccc(-n2cnnc2)c1
InChIInChI=1S/C19H18N4O2/c1-25-18-8-3-2-7-15(18)16-10-17(16)19(24)22-13-5-4-6-14(9-13)23-11-20-21-12-23/h2-9,11-12,16-17H,10H2,1H3,(H,22,24)/t16-,17+/m1/s1
InChIKeyZGQCZDCEPVKEPM-SJORKVTESA-N
XLogP3.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95769974
cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 99800995
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 99801001
4-amino-N-[3-(1,2,4-triazol-4-yl)phenyl]oxolane-3-carboxamide
CID 66240428
trans-(1S,2S)-N-(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 97315585
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 55711490
trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 95629376
trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 95629375
trans-(1R,2R)-N-(1H-benzimidazol-4-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99564709
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383104
cis-(1R,2S)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383107
cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 52528491

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide (CID 95283593) is trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide is COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cccc(-n2cnnc2)c1.
What is the InChIKey of trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ZGQCZDCEPVKEPM-SJORKVTESA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-18-8-3-2-7-15(18)16-10-17(16)19(24)22-13-5-4-6-14(9-13)23-11-20-21-12-23/h2-9,11-12,16-17H,10H2,1H3,(H,22,24)/t16-,17+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95283593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).