N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide

C18H17N3O — CID 16952532

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c4c(cccc24)CC3)nn1C
InChIInChI=1S/C18H17N3O/c1-11-10-16(20-21(11)2)18(22)19-15-9-8-13-7-6-12-4-3-5-14(15)17(12)13/h3-5,8-10H,6-7H2,1-2H3,(H,19,22)
InChIKeyNSAPDRSMYHICCA-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.23
Rot. Bonds2

About N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide

N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 16952532) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID16952532
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3c4c(cccc24)CC3)nn1C
InChIInChI=1S/C18H17N3O/c1-11-10-16(20-21(11)2)18(22)19-15-9-8-13-7-6-12-4-3-5-14(15)17(12)13/h3-5,8-10H,6-7H2,1-2H3,(H,19,22)
InChIKeyNSAPDRSMYHICCA-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-5-methylpyrazine-2-carboxamide
CID 18122028
N-(1,2-dihydroacenaphthylen-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43050486
1,5-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110685790
N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51111293
N-(2-tert-butylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 110858370
N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide
CID 7533068
1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide
CID 78904439
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 34573149
1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide
CID 17025902
N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide
CID 881818
N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 35324488
N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685819

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide (CID 16952532) is N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3c4c(cccc24)CC3)nn1C.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is NSAPDRSMYHICCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11-10-16(20-21(11)2)18(22)19-15-9-8-13-7-6-12-4-3-5-14(15)17(12)13/h3-5,8-10H,6-7H2,1-2H3,(H,19,22).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide?
N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 16952532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).