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

C10H18ClN3O — CID 66037920

IUPAC1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol
SMILESCCc1nn(C)c(CC(C)(O)CN)c1Cl
InChIInChI=1S/C10H18ClN3O/c1-4-7-9(11)8(14(3)13-7)5-10(2,15)6-12/h15H,4-6,12H2,1-3H3
InChIKeyWUDWNMNXBTZIFR-UHFFFAOYSA-N
MW231.73 g/mol
LogP0.89
Rot. Bonds4

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

1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol (PubChem CID 66037920) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is 1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol
PubChem CID66037920
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC Name1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol
SMILESCCc1nn(C)c(CC(C)(O)CN)c1Cl
InChIInChI=1S/C10H18ClN3O/c1-4-7-9(11)8(14(3)13-7)5-10(2,15)6-12/h15H,4-6,12H2,1-3H3
InChIKeyWUDWNMNXBTZIFR-UHFFFAOYSA-N
XLogP0.89
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine
CID 112565954
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026714
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-hydroxy-2-methylpropanal
CID 66037669
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol
CID 114228361
4-chloro-5-[2-(chloromethyl)-2-methylbutyl]-3-ethyl-1-methylpyrazole
CID 66033404
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-cyclopropyl-2-fluoropropan-1-amine
CID 112567110
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79450201
N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79661884
3-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methylpentan-2-one
CID 116590517
ethyl 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-methylbut-3-enoate
CID 102639020
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethoxycarbonylbutanoic acid
CID 103974525

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol (CID 66037920) is 1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol is CCc1nn(C)c(CC(C)(O)CN)c1Cl.
What is the InChIKey of 1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol?
The InChIKey is WUDWNMNXBTZIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O/c1-4-7-9(11)8(14(3)13-7)5-10(2,15)6-12/h15H,4-6,12H2,1-3H3.
What are the key properties of 1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol?
1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol has a molecular weight of 231.73 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 66037920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).