2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine

C7H12ClN3O — CID 103227543

IUPAC2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine
SMILESCOCC(CN)n1cc(Cl)cn1
InChIInChI=1S/C7H12ClN3O/c1-12-5-7(2-9)11-4-6(8)3-10-11/h3-4,7H,2,5,9H2,1H3
InChIKeyZNJYZFDLTKOTAT-UHFFFAOYSA-N
MW189.65 g/mol
LogP0.68
Rot. Bonds4

About 2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine

2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine (PubChem CID 103227543) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine
PubChem CID103227543
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine
SMILESCOCC(CN)n1cc(Cl)cn1
InChIInChI=1S/C7H12ClN3O/c1-12-5-7(2-9)11-4-6(8)3-10-11/h3-4,7H,2,5,9H2,1H3
InChIKeyZNJYZFDLTKOTAT-UHFFFAOYSA-N
XLogP0.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloropyrazol-1-yl)butan-1-amine
CID 25248254
4-iodo-1-(1-methoxybutan-2-yl)pyrazole
CID 130312079
1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole
CID 170273341
ethyl 2-amino-3-(4-chloropyrazol-1-yl)butanoate
CID 165485934
3-methoxy-N-methyl-2-(4-methylpyrazol-1-yl)propan-1-amine
CID 103227538
2-(4-bromopyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103227554
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
4-chloro-1-(3-methoxy-2-methylpropyl)pyrazol-5-amine
CID 116501544
3-(4-chloropyrazol-1-yl)-N-ethyl-2-methylbutan-1-amine
CID 81018676
(2R)-2-(4-chloropyrazol-1-yl)butanoic acid
CID 7017286
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
2-(4-bromopyrazol-1-yl)-3-methoxy-N-propylpropan-1-amine
CID 103227555

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine (CID 103227543) is 2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine is COCC(CN)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine?
The InChIKey is ZNJYZFDLTKOTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3O/c1-12-5-7(2-9)11-4-6(8)3-10-11/h3-4,7H,2,5,9H2,1H3.
What are the key properties of 2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine?
2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine has a molecular weight of 189.65 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-3-methoxypropan-1-amine is sourced from PubChem (CID 103227543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).