1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol

C16H18N2O — CID 114981786

IUPAC1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)C2C3CCc4ccccc4C32)cn1
InChIInChI=1S/C16H18N2O/c1-18-9-11(8-17-18)16(19)15-13-7-6-10-4-2-3-5-12(10)14(13)15/h2-5,8-9,13-16,19H,6-7H2,1H3
InChIKeyMUVJRNGTAQKDQK-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.43
Rot. Bonds2

About 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol (PubChem CID 114981786) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol
PubChem CID114981786
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)C2C3CCc4ccccc4C32)cn1
InChIInChI=1S/C16H18N2O/c1-18-9-11(8-17-18)16(19)15-13-7-6-10-4-2-3-5-12(10)14(13)15/h2-5,8-9,13-16,19H,6-7H2,1H3
InChIKeyMUVJRNGTAQKDQK-UHFFFAOYSA-N
XLogP2.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-bromo-1-methylpyrazol-5-yl)methanol
CID 115839213
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-methyltriazol-4-yl)methanol
CID 115835997
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(2-ethylpyrazol-3-yl)methanol
CID 115798870
[1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291138
(1-methylpyrazol-4-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 65042279
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(3-fluoro-4-pyridinyl)methanol
CID 115833981
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289811
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(cyclohexyl)methanol
CID 115802125
1-(difluoromethyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene
CID 132609163
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methylethanamine
CID 115779942
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(4-ethylcyclohexyl)methanol
CID 115807350
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-3-methylpentan-1-ol
CID 115789319

Frequently Asked Questions

What is the IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol (CID 114981786) is 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)C2C3CCc4ccccc4C32)cn1.
What is the InChIKey of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol?
The InChIKey is MUVJRNGTAQKDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18-9-11(8-17-18)16(19)15-13-7-6-10-4-2-3-5-12(10)14(13)15/h2-5,8-9,13-16,19H,6-7H2,1H3.
What are the key properties of 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol?
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol has a molecular weight of 254.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 114981786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).