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

C15H26N2O — CID 103027790

IUPAC1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCn1cc(CCC(O)CC2CCCCCC2)cn1
InChIInChI=1S/C15H26N2O/c1-17-12-14(11-16-17)8-9-15(18)10-13-6-4-2-3-5-7-13/h11-13,15,18H,2-10H2,1H3
InChIKeyJOZFBDZPOJRRGE-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.07
Rot. Bonds5

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

1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol (PubChem CID 103027790) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol.

Molecular Properties

Compound Name1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
PubChem CID103027790
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol
SMILESCn1cc(CCC(O)CC2CCCCCC2)cn1
InChIInChI=1S/C15H26N2O/c1-17-12-14(11-16-17)8-9-15(18)10-13-6-4-2-3-5-7-13/h11-13,15,18H,2-10H2,1H3
InChIKeyJOZFBDZPOJRRGE-UHFFFAOYSA-N
XLogP3.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
4-(1-methylpyrazol-4-yl)-1-(oxolan-2-yl)butan-2-ol
CID 103008015
[1-cycloheptyl-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025788
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008489
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027909
2-cyclohexyl-1-(1-methylpyrazol-4-yl)ethanol
CID 61088408
1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
1-cyclopentyl-3-(1-methylpyrazol-4-yl)oxypropan-2-ol
CID 103160725
6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol
CID 103008236
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
3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol
CID 106634544

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol?
The IUPAC name of 1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol (CID 103027790) is 1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol.
What is the SMILES notation for 1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol?
The canonical SMILES for 1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol is Cn1cc(CCC(O)CC2CCCCCC2)cn1.
What is the InChIKey of 1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol?
The InChIKey is JOZFBDZPOJRRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-17-12-14(11-16-17)8-9-15(18)10-13-6-4-2-3-5-7-13/h11-13,15,18H,2-10H2,1H3.
What are the key properties of 1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol?
1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol has a molecular weight of 250.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-(1-methylpyrazol-4-yl)butan-2-ol is sourced from PubChem (CID 103027790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).