4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol

C13H24ClN3O — CID 64811279

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)n1nc(C)c(Cl)c1C
InChIInChI=1S/C13H24ClN3O/c1-6-15-13(5,8-18)7-9(2)17-11(4)12(14)10(3)16-17/h9,15,18H,6-8H2,1-5H3
InChIKeyWKCFCPBAIUWZPK-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.46
Rot. Bonds6

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol (PubChem CID 64811279) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
PubChem CID64811279
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)n1nc(C)c(Cl)c1C
InChIInChI=1S/C13H24ClN3O/c1-6-15-13(5,8-18)7-9(2)17-11(4)12(14)10(3)16-17/h9,15,18H,6-8H2,1-5H3
InChIKeyWKCFCPBAIUWZPK-UHFFFAOYSA-N
XLogP2.46
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(propan-2-ylamino)-4-(3,4,5-trimethylpyrazol-1-yl)pentan-1-ol
CID 64810712
5-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol
CID 64811702
ethyl 2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpentanoate
CID 64707722
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64708762
4-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-2-one
CID 64696503
1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol
CID 70566742
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pentan-1-amine
CID 62567349
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentan-1-ol
CID 64797008
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62447512
1-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-ol
CID 70595068
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64810240
1-(4-chloro-3,5-dimethylpyrazol-1-yl)butan-1-ol
CID 70565587

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol (CID 64811279) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol is CCNC(C)(CO)CC(C)n1nc(C)c(Cl)c1C.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
The InChIKey is WKCFCPBAIUWZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O/c1-6-15-13(5,8-18)7-9(2)17-11(4)12(14)10(3)16-17/h9,15,18H,6-8H2,1-5H3.
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol has a molecular weight of 273.81 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(ethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 64811279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).