4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine

C9H16ClN3O — CID 112589426

IUPAC4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
SMILESCC(C)(C)OCCn1cc(Cl)c(N)n1
InChIInChI=1S/C9H16ClN3O/c1-9(2,3)14-5-4-13-6-7(10)8(11)12-13/h6H,4-5H2,1-3H3,(H2,11,12)
InChIKeyDKKGJBIHDTYRSC-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.93
Rot. Bonds3

About 4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine

4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine (PubChem CID 112589426) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
PubChem CID112589426
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
SMILESCC(C)(C)OCCn1cc(Cl)c(N)n1
InChIInChI=1S/C9H16ClN3O/c1-9(2,3)14-5-4-13-6-7(10)8(11)12-13/h6H,4-5H2,1-3H3,(H2,11,12)
InChIKeyDKKGJBIHDTYRSC-UHFFFAOYSA-N
XLogP1.93
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(3-methoxy-3-methylbutyl)pyrazol-3-amine
CID 103033703
4-chloro-1-ethylpyrazol-3-amine
CID 19576739
4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine
CID 165481302
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
CID 63316247
1-[(4-tert-butylphenoxy)methyl]-4-chloropyrazol-3-amine
CID 19618329
4-bromo-3-iodo-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole
CID 112592605
4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine
CID 165479395
4-(chloromethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazole
CID 112591369
4-chloro-1-[(4-propoxyphenoxy)methyl]pyrazol-3-amine
CID 19618327
4-(1-chloroethyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole
CID 112591702
4-chloro-1-[(5-chloro-1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 165479577
4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 19622832

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine?
The IUPAC name of 4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine (CID 112589426) is 4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine is CC(C)(C)OCCn1cc(Cl)c(N)n1.
What is the InChIKey of 4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine?
The InChIKey is DKKGJBIHDTYRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O/c1-9(2,3)14-5-4-13-6-7(10)8(11)12-13/h6H,4-5H2,1-3H3,(H2,11,12).
What are the key properties of 4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine?
4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine has a molecular weight of 217.70 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine is sourced from PubChem (CID 112589426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).