1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

C13H22N2O — CID 103027896

IUPAC1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)C2(C)CCCC2)cn1
InChIInChI=1S/C13H22N2O/c1-13(7-3-4-8-13)12(16)6-5-11-9-14-15(2)10-11/h9-10,12,16H,3-8H2,1-2H3
InChIKeyPWQYYFIVQAQYGA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.29
Rot. Bonds4

About 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 103027896) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID103027896
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)C2(C)CCCC2)cn1
InChIInChI=1S/C13H22N2O/c1-13(7-3-4-8-13)12(16)6-5-11-9-14-15(2)10-11/h9-10,12,16H,3-8H2,1-2H3
InChIKeyPWQYYFIVQAQYGA-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 106830819
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029892
1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008601
3-(1-methylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)propan-1-ol
CID 103008326
(1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol
CID 106830809
1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008613
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
1-(2-methyloxan-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011693
2-hydroxy-4-(1-methylpyrazol-4-yl)butanal
CID 103006402
1-[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropyl]ethanol
CID 106798118
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
1-(1-methylcyclopentyl)-3-thiophen-3-ylpropan-1-ol
CID 115798476

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 103027896) is 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is Cn1cc(CCC(O)C2(C)CCCC2)cn1.
What is the InChIKey of 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is PWQYYFIVQAQYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(7-3-4-8-13)12(16)6-5-11-9-14-15(2)10-11/h9-10,12,16H,3-8H2,1-2H3.
What are the key properties of 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 103027896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).