1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol

C13H24ClN3O — CID 114644612

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
SMILESCCCn1ncc(Cl)c1C(O)CCN(CC)CC
InChIInChI=1S/C13H24ClN3O/c1-4-8-17-13(11(14)10-15-17)12(18)7-9-16(5-2)6-3/h10,12,18H,4-9H2,1-3H3
InChIKeyNAMHBFSZOQQADL-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.71
Rot. Bonds8

About 1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol

1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol (PubChem CID 114644612) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
PubChem CID114644612
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
SMILESCCCn1ncc(Cl)c1C(O)CCN(CC)CC
InChIInChI=1S/C13H24ClN3O/c1-4-8-17-13(11(14)10-15-17)12(18)7-9-16(5-2)6-3/h10,12,18H,4-9H2,1-3H3
InChIKeyNAMHBFSZOQQADL-UHFFFAOYSA-N
XLogP2.71
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
CID 114644600
1-(4-chloro-1-propylpyrazol-5-yl)-3-ethoxypropan-1-ol
CID 105128502
1-(4-chloro-1-propylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927699
2-(2-chlorophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114643271
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(diethylamino)propan-1-ol
CID 114644599
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114665868
1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol
CID 114642988
1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
1-(4-chloro-1-methylpyrazol-5-yl)-N',N'-diethylpropane-1,3-diamine
CID 114657125
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635725

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol (CID 114644612) is 1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol is CCCn1ncc(Cl)c1C(O)CCN(CC)CC.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol?
The InChIKey is NAMHBFSZOQQADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O/c1-4-8-17-13(11(14)10-15-17)12(18)7-9-16(5-2)6-3/h10,12,18H,4-9H2,1-3H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol?
1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol has a molecular weight of 273.81 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-3-(diethylamino)propan-1-ol is sourced from PubChem (CID 114644612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).