1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol

C11H18N2O — CID 130943640

IUPAC1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol
SMILESCc1cnn(C)c1C(O)CC1(C)CC1
InChIInChI=1S/C11H18N2O/c1-8-7-12-13(3)10(8)9(14)6-11(2)4-5-11/h7,9,14H,4-6H2,1-3H3
InChIKeyKHKGTPYDQKFYAY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.95
Rot. Bonds3

About 1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol

1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol (PubChem CID 130943640) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol.

Molecular Properties

Compound Name1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol
PubChem CID130943640
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol
SMILESCc1cnn(C)c1C(O)CC1(C)CC1
InChIInChI=1S/C11H18N2O/c1-8-7-12-13(3)10(8)9(14)6-11(2)4-5-11/h7,9,14H,4-6H2,1-3H3
InChIKeyKHKGTPYDQKFYAY-UHFFFAOYSA-N
XLogP1.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,4-dimethylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanol
CID 112742297
3-amino-1-(1,4-dimethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130604592
1-(1,4-dimethylpyrazol-5-yl)-2-methylbutane-1,2-diol
CID 130527392
1-(1,4-dimethylpyrazol-5-yl)-2,2-difluoropropan-1-ol
CID 131119422
(1S)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637321
(1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637320
(3R)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propan-1-ol
CID 96739130
(1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine
CID 164650801
(3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide
CID 131209567
2-cyclopropyl-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 130527432
2-(1-adamantyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethanol
CID 115839202
(1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine
CID 130775622

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol?
The IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol (CID 130943640) is 1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol.
What is the SMILES notation for 1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol?
The canonical SMILES for 1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol is Cc1cnn(C)c1C(O)CC1(C)CC1.
What is the InChIKey of 1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol?
The InChIKey is KHKGTPYDQKFYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-7-12-13(3)10(8)9(14)6-11(2)4-5-11/h7,9,14H,4-6H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol?
1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol has a molecular weight of 194.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol is sourced from PubChem (CID 130943640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).