1-amino-3-(4-chloropyrazol-1-yl)propan-2-one

C6H8ClN3O — CID 84654781

IUPAC1-amino-3-(4-chloropyrazol-1-yl)propan-2-one
SMILESNCC(=O)Cn1cc(Cl)cn1
InChIInChI=1S/C6H8ClN3O/c7-5-2-9-10(3-5)4-6(11)1-8/h2-3H,1,4,8H2
InChIKeyDPBIYCWZLKJHET-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.06
Rot. Bonds3

About 1-amino-3-(4-chloropyrazol-1-yl)propan-2-one

1-amino-3-(4-chloropyrazol-1-yl)propan-2-one (PubChem CID 84654781) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 1-amino-3-(4-chloropyrazol-1-yl)propan-2-one.

Molecular Properties

Compound Name1-amino-3-(4-chloropyrazol-1-yl)propan-2-one
PubChem CID84654781
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name1-amino-3-(4-chloropyrazol-1-yl)propan-2-one
SMILESNCC(=O)Cn1cc(Cl)cn1
InChIInChI=1S/C6H8ClN3O/c7-5-2-9-10(3-5)4-6(11)1-8/h2-3H,1,4,8H2
InChIKeyDPBIYCWZLKJHET-UHFFFAOYSA-N
XLogP0.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]acetohydrazide
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3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
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2-[(4-chloropyrazol-1-yl)methyl]prop-2-ene-1-thiol
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2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-chloropyrazol-1-yl)propan-2-one?
The IUPAC name of 1-amino-3-(4-chloropyrazol-1-yl)propan-2-one (CID 84654781) is 1-amino-3-(4-chloropyrazol-1-yl)propan-2-one.
What is the SMILES notation for 1-amino-3-(4-chloropyrazol-1-yl)propan-2-one?
The canonical SMILES for 1-amino-3-(4-chloropyrazol-1-yl)propan-2-one is NCC(=O)Cn1cc(Cl)cn1.
What is the InChIKey of 1-amino-3-(4-chloropyrazol-1-yl)propan-2-one?
The InChIKey is DPBIYCWZLKJHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c7-5-2-9-10(3-5)4-6(11)1-8/h2-3H,1,4,8H2.
What are the key properties of 1-amino-3-(4-chloropyrazol-1-yl)propan-2-one?
1-amino-3-(4-chloropyrazol-1-yl)propan-2-one has a molecular weight of 173.60 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-chloropyrazol-1-yl)propan-2-one is sourced from PubChem (CID 84654781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).