4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol

C15H28N2O — CID 114201866

IUPAC4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol
SMILESCc1nn(C)c(C)c1CC(O)CC(C)CC(C)C
InChIInChI=1S/C15H28N2O/c1-10(2)7-11(3)8-14(18)9-15-12(4)16-17(6)13(15)5/h10-11,14,18H,7-9H2,1-6H3
InChIKeyBYHUSWXHXYRFMZ-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.01
Rot. Bonds6

About 4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol

4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol (PubChem CID 114201866) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol.

Molecular Properties

Compound Name4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol
PubChem CID114201866
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol
SMILESCc1nn(C)c(C)c1CC(O)CC(C)CC(C)C
InChIInChI=1S/C15H28N2O/c1-10(2)7-11(3)8-14(18)9-15-12(4)16-17(6)13(15)5/h10-11,14,18H,7-9H2,1-6H3
InChIKeyBYHUSWXHXYRFMZ-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 105122498
2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propane-1-thiol
CID 83930049
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 105120573
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 107894694
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol
CID 105076282
5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 103028410
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol
CID 61246554
1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105109707
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105108326
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
CID 111422037

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol?
The IUPAC name of 4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol (CID 114201866) is 4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol.
What is the SMILES notation for 4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol?
The canonical SMILES for 4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol is Cc1nn(C)c(C)c1CC(O)CC(C)CC(C)C.
What is the InChIKey of 4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol?
The InChIKey is BYHUSWXHXYRFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-10(2)7-11(3)8-14(18)9-15-12(4)16-17(6)13(15)5/h10-11,14,18H,7-9H2,1-6H3.
What are the key properties of 4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol?
4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol has a molecular weight of 252.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol is sourced from PubChem (CID 114201866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).