trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide

C26H25N3O — CID 1272887

IUPACtrans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C26H25N3O/c1-17-25(27-26(30)24-15-23(24)20-9-4-3-5-10-20)18(2)29(28-17)16-21-13-8-12-19-11-6-7-14-22(19)21/h3-14,23-24H,15-16H2,1-2H3,(H,27,30)/t23-,24+/m1/s1
InChIKeyHWNHNPWRUWJPPM-RPWUZVMVSA-N
MW395.51 g/mol
LogP5.44
Rot. Bonds5

About trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 1272887) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
PubChem CID1272887
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Nametrans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C26H25N3O/c1-17-25(27-26(30)24-15-23(24)20-9-4-3-5-10-20)18(2)29(28-17)16-21-13-8-12-19-11-6-7-14-22(19)21/h3-14,23-24H,15-16H2,1-2H3,(H,27,30)/t23-,24+/m1/s1
InChIKeyHWNHNPWRUWJPPM-RPWUZVMVSA-N
XLogP5.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropane-1-carboxamide
CID 19412143
trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide
CID 35526195
3-chloro-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 2986824
1-[1-[[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]amino]-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19504517
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(4-methoxyphenyl)propanamide
CID 1225812
1-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 2957512
6-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3446612
2-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-2-oxoacetic acid
CID 4774461
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19442219
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503785
trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 1220752
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide
CID 19499243

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide (CID 1272887) is trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide is Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is HWNHNPWRUWJPPM-RPWUZVMVSA-N. The full InChI is InChI=1S/C26H25N3O/c1-17-25(27-26(30)24-15-23(24)20-9-4-3-5-10-20)18(2)29(28-17)16-21-13-8-12-19-11-6-7-14-22(19)21/h3-14,23-24H,15-16H2,1-2H3,(H,27,30)/t23-,24+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 1272887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).