3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol

C13H21ClN2O — CID 83150607

IUPAC3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol
SMILESCCn1nc(C)c(Cl)c1CC(C)(CO)C1CC1
InChIInChI=1S/C13H21ClN2O/c1-4-16-11(12(14)9(2)15-16)7-13(3,8-17)10-5-6-10/h10,17H,4-8H2,1-3H3
InChIKeyCONHGSOSWYTOPH-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.82
Rot. Bonds5

About 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol

3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol (PubChem CID 83150607) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol
PubChem CID83150607
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol
SMILESCCn1nc(C)c(Cl)c1CC(C)(CO)C1CC1
InChIInChI=1S/C13H21ClN2O/c1-4-16-11(12(14)9(2)15-16)7-13(3,8-17)10-5-6-10/h10,17H,4-8H2,1-3H3
InChIKeyCONHGSOSWYTOPH-UHFFFAOYSA-N
XLogP2.82
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-methylbutan-1-ol
CID 66059584
5-(3-bromo-2-cyclopropyl-2-methylpropyl)-4-chloro-1,3-diethylpyrazole
CID 83150958
5-(3-bromo-2,2-dimethylpropyl)-4-chloro-1-ethyl-3-methylpyrazole
CID 66048622
5-[2-(bromomethyl)-2-methylbut-3-enyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 102642292
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186709
5-[2,2-bis(chloromethyl)pentyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 79448143
2-(aminomethyl)-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopropylpropan-1-ol
CID 106506603
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol
CID 115813336
5-[2-(bromomethyl)-2-methylpentyl]-4-chloro-1-ethyl-3-methylpyrazole
CID 66050888
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)propan-2-ol
CID 70851786
4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole
CID 115410517
[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]cyclopentyl]methanol
CID 106360894

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol?
The IUPAC name of 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol (CID 83150607) is 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol is CCn1nc(C)c(Cl)c1CC(C)(CO)C1CC1.
What is the InChIKey of 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol?
The InChIKey is CONHGSOSWYTOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-4-16-11(12(14)9(2)15-16)7-13(3,8-17)10-5-6-10/h10,17H,4-8H2,1-3H3.
What are the key properties of 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol?
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol has a molecular weight of 256.78 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-cyclopropyl-2-methylpropan-1-ol is sourced from PubChem (CID 83150607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).