(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol

C15H26N2O — CID 103572566

IUPAC(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2CC(C)CC(C)C2)cn1
InChIInChI=1S/C15H26N2O/c1-4-5-17-10-14(9-16-17)15(18)13-7-11(2)6-12(3)8-13/h9-13,15,18H,4-8H2,1-3H3
InChIKeyDFZIJDYIZQDISN-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.40
Rot. Bonds4

About (3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol

(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol (PubChem CID 103572566) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
PubChem CID103572566
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2CC(C)CC(C)C2)cn1
InChIInChI=1S/C15H26N2O/c1-4-5-17-10-14(9-16-17)15(18)13-7-11(2)6-12(3)8-13/h9-13,15,18H,4-8H2,1-3H3
InChIKeyDFZIJDYIZQDISN-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol
CID 63901804
(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol
CID 105080812
(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
CID 114215857
(3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572548
1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol
CID 103572574
(1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol
CID 80621601
(3-ethyl-1,4-dithian-2-yl)-(1-propylpyrazol-4-yl)methanol
CID 113299465
2-(3-ethoxycyclobutyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103169894
1,4-dithian-2-yl-(1-propylpyrazol-4-yl)methanol
CID 79971179
(1-ethylpyrazol-4-yl)-(2-methylcyclopropyl)methanol
CID 65420163

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of (3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol (CID 103572566) is (3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)C2CC(C)CC(C)C2)cn1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol?
The InChIKey is DFZIJDYIZQDISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-5-17-10-14(9-16-17)15(18)13-7-11(2)6-12(3)8-13/h9-13,15,18H,4-8H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol?
(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol has a molecular weight of 250.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 103572566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).