1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol

C12H19ClN2O — CID 114636173

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol
SMILESCCCn1ncc(Cl)c1C1(O)CCCC1C
InChIInChI=1S/C12H19ClN2O/c1-3-7-15-11(10(13)8-14-15)12(16)6-4-5-9(12)2/h8-9,16H,3-7H2,1-2H3
InChIKeyCUEXVBICWWGQNV-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.95
Rot. Bonds3

About 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol

1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol (PubChem CID 114636173) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol
PubChem CID114636173
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol
SMILESCCCn1ncc(Cl)c1C1(O)CCCC1C
InChIInChI=1S/C12H19ClN2O/c1-3-7-15-11(10(13)8-14-15)12(16)6-4-5-9(12)2/h8-9,16H,3-7H2,1-2H3
InChIKeyCUEXVBICWWGQNV-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-2-(4-chloro-1-methylpyrazol-5-yl)-1,1,1-trifluorobutan-2-ol
CID 83920053
[4-Chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4,4-difluorocyclohexyl)methanol
CID 105127239
(4-Chloro-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105127714
(4-Chloro-1-ethylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol
CID 105127732
(4-Chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105127734
(4-Chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105127810
(4-Chloro-1-propan-2-ylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105128195
(4-Chloro-1-propan-2-ylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol
CID 105128224
(4-Chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105128227
(4-Chloro-1-propan-2-ylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105128293
(4-Chloro-1-propylpyrazol-5-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105128463
(4-Chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol
CID 105128478

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol (CID 114636173) is 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol is CCCn1ncc(Cl)c1C1(O)CCCC1C.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol?
The InChIKey is CUEXVBICWWGQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-7-15-11(10(13)8-14-15)12(16)6-4-5-9(12)2/h8-9,16H,3-7H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol?
1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol has a molecular weight of 242.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 114636173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).