trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide

C23H24ClN3O — CID 41447387

IUPACtrans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl
InChIInChI=1S/C23H24ClN3O/c1-15-21(16(2)27(26-15)14-17-8-4-3-5-9-17)13-25-23(28)20-12-19(20)18-10-6-7-11-22(18)24/h3-11,19-20H,12-14H2,1-2H3,(H,25,28)/t19-,20+/m1/s1
InChIKeyXCDKRWLYGFIIGT-UXHICEINSA-N
MW393.92 g/mol
LogP4.62
Rot. Bonds6

About trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 41447387) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID41447387
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Nametrans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl
InChIInChI=1S/C23H24ClN3O/c1-15-21(16(2)27(26-15)14-17-8-4-3-5-9-17)13-25-23(28)20-12-19(20)18-10-6-7-11-22(18)24/h3-11,19-20H,12-14H2,1-2H3,(H,25,28)/t19-,20+/m1/s1
InChIKeyXCDKRWLYGFIIGT-UXHICEINSA-N
XLogP4.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55558860
3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119694410
(E)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-chlorophenyl)prop-2-enamide
CID 8943495
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8944646
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,3-dicyclopropylpropanamide
CID 48574002
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 55464336
(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 26002894
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide (CID 41447387) is trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl.
What is the InChIKey of trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is XCDKRWLYGFIIGT-UXHICEINSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-15-21(16(2)27(26-15)14-17-8-4-3-5-9-17)13-25-23(28)20-12-19(20)18-10-6-7-11-22(18)24/h3-11,19-20H,12-14H2,1-2H3,(H,25,28)/t19-,20+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 393.92 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 41447387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).