trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide

C21H21N3O2 — CID 95629375

IUPACtrans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C21H21N3O2/c1-26-20-9-3-2-8-17(20)18-13-19(18)21(25)22-14-15-6-4-7-16(12-15)24-11-5-10-23-24/h2-12,18-19H,13-14H2,1H3,(H,22,25)/t18-,19+/m1/s1
InChIKeyTVRHKZWEWNDMKG-MOPGFXCFSA-N
MW347.42 g/mol
LogP3.30
Rot. Bonds6

About trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 95629375) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID95629375
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Nametrans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C21H21N3O2/c1-26-20-9-3-2-8-17(20)18-13-19(18)21(25)22-14-15-6-4-7-16(12-15)24-11-5-10-23-24/h2-12,18-19H,13-14H2,1H3,(H,22,25)/t18-,19+/m1/s1
InChIKeyTVRHKZWEWNDMKG-MOPGFXCFSA-N
XLogP3.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 95629376
trans-(1S,2S)-N-[(3-imidazol-1-ylphenyl)methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95769974
trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
CID 95287527
trans-(1R,2R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99773716
trans-(1S,2S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99773714
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111793880
trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide
CID 95283593
2-(2-methoxyphenyl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclopropane-1-carboxamide
CID 56785478
trans-(1R,2R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95286253
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 95306827
2-(2-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51292245
trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 138039139

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide (CID 95629375) is trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide is COc1ccccc1[C@H]1C[C@@H]1C(=O)NCc1cccc(-n2cccn2)c1.
What is the InChIKey of trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is TVRHKZWEWNDMKG-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-20-9-3-2-8-17(20)18-13-19(18)21(25)22-14-15-6-4-7-16(12-15)24-11-5-10-23-24/h2-12,18-19H,13-14H2,1H3,(H,22,25)/t18-,19+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95629375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).