1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol

C13H22N2O2 — CID 103008567

IUPAC1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCCOC(C(O)CCc1cnn(C)c1)C1CC1
InChIInChI=1S/C13H22N2O2/c1-3-17-13(11-5-6-11)12(16)7-4-10-8-14-15(2)9-10/h8-9,11-13,16H,3-7H2,1-2H3
InChIKeyVFKRKTPMKYILIZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.53
Rot. Bonds7

About 1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol

1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol (PubChem CID 103008567) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol
PubChem CID103008567
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCCOC(C(O)CCc1cnn(C)c1)C1CC1
InChIInChI=1S/C13H22N2O2/c1-3-17-13(11-5-6-11)12(16)7-4-10-8-14-15(2)9-10/h8-9,11-13,16H,3-7H2,1-2H3
InChIKeyVFKRKTPMKYILIZ-UHFFFAOYSA-N
XLogP1.53
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 116712818
4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol
CID 103008145
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027790
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008489
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027909
ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
CID 103002910
1-cyclopropyl-1-hydroxy-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103455845

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol?
The IUPAC name of 1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol (CID 103008567) is 1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol is CCOC(C(O)CCc1cnn(C)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol?
The InChIKey is VFKRKTPMKYILIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-17-13(11-5-6-11)12(16)7-4-10-8-14-15(2)9-10/h8-9,11-13,16H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol?
1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol is sourced from PubChem (CID 103008567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).