trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide

C24H21N3O — CID 35526195

IUPACtrans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(Cc2cccc3ccccc23)n1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C24H21N3O/c28-24(22-15-21(22)18-7-2-1-3-8-18)25-23-13-14-27(26-23)16-19-11-6-10-17-9-4-5-12-20(17)19/h1-14,21-22H,15-16H2,(H,25,26,28)/t21-,22+/m0/s1
InChIKeyACWLTBLCDVQYDB-FCHUYYIVSA-N
MW367.45 g/mol
LogP4.83
Rot. Bonds5

About trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 35526195) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide
PubChem CID35526195
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Nametrans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(Cc2cccc3ccccc23)n1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C24H21N3O/c28-24(22-15-21(22)18-7-2-1-3-8-18)25-23-13-14-27(26-23)16-19-11-6-10-17-9-4-5-12-20(17)19/h1-14,21-22H,15-16H2,(H,25,26,28)/t21-,22+/m0/s1
InChIKeyACWLTBLCDVQYDB-FCHUYYIVSA-N
XLogP4.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide
CID 19286942
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605
trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 1272887
cis-(1S,2R)-2-phenyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 95169645
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19525858
2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 128964902
trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 1220752
3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19394803
2-[3-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 129380619
4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19394835
3-cyano-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzamide
CID 19398566

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide (CID 35526195) is trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide is O=C(Nc1ccn(Cc2cccc3ccccc23)n1)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is ACWLTBLCDVQYDB-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H21N3O/c28-24(22-15-21(22)18-7-2-1-3-8-18)25-23-13-14-27(26-23)16-19-11-6-10-17-9-4-5-12-20(17)19/h1-14,21-22H,15-16H2,(H,25,26,28)/t21-,22+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 35526195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).