1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine

C8H14ClN3O — CID 84671971

IUPAC1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine
SMILESCc1nn(C)c(OCC(C)N)c1Cl
InChIInChI=1S/C8H14ClN3O/c1-5(10)4-13-8-7(9)6(2)11-12(8)3/h5H,4,10H2,1-3H3
InChIKeyLQSMCGSGRAXHKR-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.11
Rot. Bonds3

About 1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine

1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine (PubChem CID 84671971) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine
PubChem CID84671971
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine
SMILESCc1nn(C)c(OCC(C)N)c1Cl
InChIInChI=1S/C8H14ClN3O/c1-5(10)4-13-8-7(9)6(2)11-12(8)3/h5H,4,10H2,1-3H3
InChIKeyLQSMCGSGRAXHKR-UHFFFAOYSA-N
XLogP1.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine?
The IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine (CID 84671971) is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine.
What is the SMILES notation for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine?
The canonical SMILES for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine is Cc1nn(C)c(OCC(C)N)c1Cl.
What is the InChIKey of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine?
The InChIKey is LQSMCGSGRAXHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O/c1-5(10)4-13-8-7(9)6(2)11-12(8)3/h5H,4,10H2,1-3H3.
What are the key properties of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine?
1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine has a molecular weight of 203.67 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine is sourced from PubChem (CID 84671971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).