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

C11H18N2O — CID 103008389

IUPAC1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCn1cc(CCC(O)CC2CC2)cn1
InChIInChI=1S/C11H18N2O/c1-13-8-10(7-12-13)4-5-11(14)6-9-2-3-9/h7-9,11,14H,2-6H2,1H3
InChIKeyQPHDLVSDPGKJMC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.51
Rot. Bonds5

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

1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol (PubChem CID 103008389) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
PubChem CID103008389
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCn1cc(CCC(O)CC2CC2)cn1
InChIInChI=1S/C11H18N2O/c1-13-8-10(7-12-13)4-5-11(14)6-9-2-3-9/h7-9,11,14H,2-6H2,1H3
InChIKeyQPHDLVSDPGKJMC-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103027790
4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol
CID 103008015
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008489
1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602
6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol
CID 103008236
4-(3-bromo-3-cyclopropylpropyl)-1-methylpyrazole
CID 63358314
2-hydroxy-4-(1-methylpyrazol-4-yl)butanal
CID 103006402
1-(1-methylpyrazol-4-yl)tetradecan-3-ol
CID 103027779
1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008567
1-(2-methylcyclopropyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008226
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
1-(2-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 107193091

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol?
The IUPAC name of 1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol (CID 103008389) is 1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol.
What is the SMILES notation for 1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol?
The canonical SMILES for 1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol is Cn1cc(CCC(O)CC2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol?
The InChIKey is QPHDLVSDPGKJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13-8-10(7-12-13)4-5-11(14)6-9-2-3-9/h7-9,11,14H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol?
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol is sourced from PubChem (CID 103008389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).