5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol

C12H22N2O — CID 103028111

IUPAC5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
SMILESCCC(C)CC(O)CCc1ccnn1C
InChIInChI=1S/C12H22N2O/c1-4-10(2)9-12(15)6-5-11-7-8-13-14(11)3/h7-8,10,12,15H,4-6,9H2,1-3H3
InChIKeyNTBRSVJWMUYVNN-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.15
Rot. Bonds6

About 5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol

5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol (PubChem CID 103028111) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol.

Molecular Properties

Compound Name5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
PubChem CID103028111
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
SMILESCCC(C)CC(O)CCc1ccnn1C
InChIInChI=1S/C12H22N2O/c1-4-10(2)9-12(15)6-5-11-7-8-13-14(11)3/h7-8,10,12,15H,4-6,9H2,1-3H3
InChIKeyNTBRSVJWMUYVNN-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine
CID 103030518
1-butan-2-ylsulfanyl-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008171
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
5-(5-bromo-3-methylhexyl)-1-methylpyrazole
CID 103016082
6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103028081
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103017776

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol?
The IUPAC name of 5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol (CID 103028111) is 5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol.
What is the SMILES notation for 5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol?
The canonical SMILES for 5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol is CCC(C)CC(O)CCc1ccnn1C.
What is the InChIKey of 5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol?
The InChIKey is NTBRSVJWMUYVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-10(2)9-12(15)6-5-11-7-8-13-14(11)3/h7-8,10,12,15H,4-6,9H2,1-3H3.
What are the key properties of 5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol?
5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol has a molecular weight of 210.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol is sourced from PubChem (CID 103028111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).