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

C7H12ClN3 — CID 19616568

IUPAC3-(4-chloropyrazol-1-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cn1cc(Cl)cn1
InChIInChI=1S/C7H12ClN3/c1-6(2-9)4-11-5-7(8)3-10-11/h3,5-6H,2,4,9H2,1H3
InChIKeyAPRGNOBUZDBYMP-UHFFFAOYSA-N
MW173.65 g/mol
LogP1.13
Rot. Bonds3

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

3-(4-chloropyrazol-1-yl)-2-methylpropan-1-amine (PubChem CID 19616568) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-2-methylpropan-1-amine
PubChem CID19616568
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name3-(4-chloropyrazol-1-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cn1cc(Cl)cn1
InChIInChI=1S/C7H12ClN3/c1-6(2-9)4-11-5-7(8)3-10-11/h3,5-6H,2,4,9H2,1H3
InChIKeyAPRGNOBUZDBYMP-UHFFFAOYSA-N
XLogP1.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-2-methylpropan-1-amine (CID 19616568) is 3-(4-chloropyrazol-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-2-methylpropan-1-amine is CC(CN)Cn1cc(Cl)cn1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-2-methylpropan-1-amine?
The InChIKey is APRGNOBUZDBYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3/c1-6(2-9)4-11-5-7(8)3-10-11/h3,5-6H,2,4,9H2,1H3.
What are the key properties of 3-(4-chloropyrazol-1-yl)-2-methylpropan-1-amine?
3-(4-chloropyrazol-1-yl)-2-methylpropan-1-amine has a molecular weight of 173.65 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 19616568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).