3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide

C21H25N3O2 — CID 127418888

IUPAC3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c(C2CCCCC2)n1
InChIInChI=1S/C21H25N3O2/c1-24-13-18(20(23-24)15-6-3-2-4-7-15)21(26)22-16-11-10-14-8-5-9-19(25)17(14)12-16/h10-13,15H,2-9H2,1H3,(H,22,26)
InChIKeyBSVWIQNPBOJWTO-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.24
Rot. Bonds3

About 3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide

3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide (PubChem CID 127418888) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide
PubChem CID127418888
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c(C2CCCCC2)n1
InChIInChI=1S/C21H25N3O2/c1-24-13-18(20(23-24)15-6-3-2-4-7-15)21(26)22-16-11-10-14-8-5-9-19(25)17(14)12-16/h10-13,15H,2-9H2,1H3,(H,22,26)
InChIKeyBSVWIQNPBOJWTO-UHFFFAOYSA-N
XLogP4.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide (CID 127418888) is 3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c(C2CCCCC2)n1.
What is the InChIKey of 3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide?
The InChIKey is BSVWIQNPBOJWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-24-13-18(20(23-24)15-6-3-2-4-7-15)21(26)22-16-11-10-14-8-5-9-19(25)17(14)12-16/h10-13,15H,2-9H2,1H3,(H,22,26).
What are the key properties of 3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide?
3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 127418888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).