1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol

C12H19ClN2O — CID 114636259

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(c2c(Cl)cnn2C)CC1
InChIInChI=1S/C12H19ClN2O/c1-9-4-3-6-12(16,7-5-9)11-10(13)8-14-15(11)2/h8-9,16H,3-7H2,1-2H3
InChIKeyUPPMDYDQHCHDGZ-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.86
Rot. Bonds1

About 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol

1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol (PubChem CID 114636259) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol
PubChem CID114636259
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(c2c(Cl)cnn2C)CC1
InChIInChI=1S/C12H19ClN2O/c1-9-4-3-6-12(16,7-5-9)11-10(13)8-14-15(11)2/h8-9,16H,3-7H2,1-2H3
InChIKeyUPPMDYDQHCHDGZ-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-4-methylcycloheptan-1-ol
CID 114636258
1-(4-chloro-1-methylpyrazol-5-yl)-4-propan-2-ylcyclohexan-1-ol
CID 114633841
1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114636111
4-(4-chloro-1-methylpyrazol-5-yl)-2-methyloxan-4-ol
CID 114635799
1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452342
1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylcyclohexan-1-ol
CID 114633240
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylthian-3-ol
CID 114636867
1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylcyclopentan-1-ol
CID 114635969
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol
CID 114636297
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol
CID 114636173
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol
CID 114636731
4-chloro-5-(3-chloro-1-methylcyclopentyl)-1-methylpyrazole
CID 114665719

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol (CID 114636259) is 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol is CC1CCCC(O)(c2c(Cl)cnn2C)CC1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol?
The InChIKey is UPPMDYDQHCHDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-9-4-3-6-12(16,7-5-9)11-10(13)8-14-15(11)2/h8-9,16H,3-7H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol?
1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol has a molecular weight of 242.75 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol is sourced from PubChem (CID 114636259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).