1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol

C10H16ClN3O — CID 114665852

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
SMILESCCn1ncc(Cl)c1C(O)CNC1CC1
InChIInChI=1S/C10H16ClN3O/c1-2-14-10(8(11)5-13-14)9(15)6-12-7-3-4-7/h5,7,9,12,15H,2-4,6H2,1H3
InChIKeyDMUOUBYSWSKRKC-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.34
Rot. Bonds5

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol

1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol (PubChem CID 114665852) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
PubChem CID114665852
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
SMILESCCn1ncc(Cl)c1C(O)CNC1CC1
InChIInChI=1S/C10H16ClN3O/c1-2-14-10(8(11)5-13-14)9(15)6-12-7-3-4-7/h5,7,9,12,15H,2-4,6H2,1H3
InChIKeyDMUOUBYSWSKRKC-UHFFFAOYSA-N
XLogP1.34
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843
1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459014
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol
CID 114644164
1-(4-chloro-1-ethylpyrazol-5-yl)-3-(diethylamino)propan-1-ol
CID 114644600
1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
CID 114665859
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,4-dichlorophenyl)ethanol
CID 114643302
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclopentylethyl]hydrazine
CID 105336401
(4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol
CID 114636929
N-[(4-chloro-1-ethylpyrazol-5-yl)-cyclobutylmethyl]propan-1-amine
CID 114653224
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethyl]hydrazine
CID 105336353
2-(tert-butylamino)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114665868
1-(4-chloro-1-ethylpyrazol-5-yl)-3,3-dimethylbutane-1,2-diol
CID 103457095

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol (CID 114665852) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol is CCn1ncc(Cl)c1C(O)CNC1CC1.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol?
The InChIKey is DMUOUBYSWSKRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-2-14-10(8(11)5-13-14)9(15)6-12-7-3-4-7/h5,7,9,12,15H,2-4,6H2,1H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol has a molecular weight of 229.71 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol is sourced from PubChem (CID 114665852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).