2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine

C7H12ClN3 — CID 83827347

IUPAC2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
SMILESCC(CN)c1c(Cl)cnn1C
InChIInChI=1S/C7H12ClN3/c1-5(3-9)7-6(8)4-10-11(7)2/h4-5H,3,9H2,1-2H3
InChIKeyJRWFZAZTBZQXDP-UHFFFAOYSA-N
MW173.65 g/mol
LogP1.14
Rot. Bonds2

About 2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine

2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine (PubChem CID 83827347) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
PubChem CID83827347
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
SMILESCC(CN)c1c(Cl)cnn1C
InChIInChI=1S/C7H12ClN3/c1-5(3-9)7-6(8)4-10-11(7)2/h4-5H,3,9H2,1-2H3
InChIKeyJRWFZAZTBZQXDP-UHFFFAOYSA-N
XLogP1.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine
CID 83831706
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114635183
3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine
CID 114662988
(3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide
CID 130936273
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-3-methylbutan-1-amine
CID 114661238
3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046647
1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol
CID 114665843
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethylsulfanylethanamine
CID 114653440
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxybutan-1-amine
CID 114660965
2-(4-chloro-1-methylpyrazol-5-yl)butanal
CID 83828959
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 114635695

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine?
The IUPAC name of 2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine (CID 83827347) is 2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine is CC(CN)c1c(Cl)cnn1C.
What is the InChIKey of 2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine?
The InChIKey is JRWFZAZTBZQXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3/c1-5(3-9)7-6(8)4-10-11(7)2/h4-5H,3,9H2,1-2H3.
What are the key properties of 2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine?
2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine has a molecular weight of 173.65 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine is sourced from PubChem (CID 83827347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).