1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide

C23H25N3O — CID 2505985

IUPAC1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C23H25N3O/c1-16-22(17(2)26(25-16)15-18-9-4-3-5-10-18)23(27)24-21-14-8-12-19-11-6-7-13-20(19)21/h3-7,9-11,13,21H,8,12,14-15H2,1-2H3,(H,24,27)/t21-/m0/s1
InChIKeyFVFUCBKLTJVLPA-NRFANRHFSA-N
MW359.47 g/mol
LogP4.36
Rot. Bonds4

About 1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide

1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide (PubChem CID 2505985) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
PubChem CID2505985
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C23H25N3O/c1-16-22(17(2)26(25-16)15-18-9-4-3-5-10-18)23(27)24-21-14-8-12-19-11-6-7-13-20(19)21/h3-7,9-11,13,21H,8,12,14-15H2,1-2H3,(H,24,27)/t21-/m0/s1
InChIKeyFVFUCBKLTJVLPA-NRFANRHFSA-N
XLogP4.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 4879142
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 42978287
1-benzyl-5-chloro-3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 2567145
1-benzyl-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 41198027
1,3,5-trimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 45148404
1-benzyl-3,5-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide
CID 42956215
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 47007794
3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 2472792
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55558860
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 33024736
1-benzyl-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 86941094

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide (CID 2505985) is 1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide?
The InChIKey is FVFUCBKLTJVLPA-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-22(17(2)26(25-16)15-18-9-4-3-5-10-18)23(27)24-21-14-8-12-19-11-6-7-13-20(19)21/h3-7,9-11,13,21H,8,12,14-15H2,1-2H3,(H,24,27)/t21-/m0/s1.
What are the key properties of 1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide?
1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 2505985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).