cycloheptyl-(1-propylpyrazol-4-yl)methanol

C14H24N2O — CID 65398920

IUPACcycloheptyl-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2CCCCCC2)cn1
InChIInChI=1S/C14H24N2O/c1-2-9-16-11-13(10-15-16)14(17)12-7-5-3-4-6-8-12/h10-12,14,17H,2-9H2,1H3
InChIKeyBSVDWSAJLTWNOF-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.30
Rot. Bonds4

About cycloheptyl-(1-propylpyrazol-4-yl)methanol

cycloheptyl-(1-propylpyrazol-4-yl)methanol (PubChem CID 65398920) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is cycloheptyl-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Namecycloheptyl-(1-propylpyrazol-4-yl)methanol
PubChem CID65398920
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Namecycloheptyl-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2CCCCCC2)cn1
InChIInChI=1S/C14H24N2O/c1-2-9-16-11-13(10-15-16)14(17)12-7-5-3-4-6-8-12/h10-12,14,17H,2-9H2,1H3
InChIKeyBSVDWSAJLTWNOF-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572566
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
(1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol
CID 80621601
(3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572548
1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 80603467
(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
CID 114215857
1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol
CID 103572574
cyclooctyl-(1-ethylpyrazol-4-yl)methanamine
CID 80603190
3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 106590646
3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981610

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of cycloheptyl-(1-propylpyrazol-4-yl)methanol (CID 65398920) is cycloheptyl-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for cycloheptyl-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for cycloheptyl-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)C2CCCCCC2)cn1.
What is the InChIKey of cycloheptyl-(1-propylpyrazol-4-yl)methanol?
The InChIKey is BSVDWSAJLTWNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-9-16-11-13(10-15-16)14(17)12-7-5-3-4-6-8-12/h10-12,14,17H,2-9H2,1H3.
What are the key properties of cycloheptyl-(1-propylpyrazol-4-yl)methanol?
cycloheptyl-(1-propylpyrazol-4-yl)methanol has a molecular weight of 236.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 65398920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).