3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine

C7H11ClFN3 — CID 114667938

IUPAC3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine
SMILESCn1ncc(Cl)c1C(F)CCN
InChIInChI=1S/C7H11ClFN3/c1-12-7(5(8)4-11-12)6(9)2-3-10/h4,6H,2-3,10H2,1H3
InChIKeyDTIYPLATGCLYKY-UHFFFAOYSA-N
MW191.64 g/mol
LogP1.43
Rot. Bonds3

About 3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine

3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine (PubChem CID 114667938) has the molecular formula C7H11ClFN3 and a molecular weight of 191.64 g/mol. Its IUPAC name is 3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine
PubChem CID114667938
Molecular FormulaC7H11ClFN3
Molecular Weight191.64 g/mol
Exact Mass191.06
IUPAC Name3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine
SMILESCn1ncc(Cl)c1C(F)CCN
InChIInChI=1S/C7H11ClFN3/c1-12-7(5(8)4-11-12)6(9)2-3-10/h4,6H,2-3,10H2,1H3
InChIKeyDTIYPLATGCLYKY-UHFFFAOYSA-N
XLogP1.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine?
The IUPAC name of 3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine (CID 114667938) is 3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine.
What is the SMILES notation for 3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine?
The canonical SMILES for 3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine is Cn1ncc(Cl)c1C(F)CCN.
What is the InChIKey of 3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine?
The InChIKey is DTIYPLATGCLYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClFN3/c1-12-7(5(8)4-11-12)6(9)2-3-10/h4,6H,2-3,10H2,1H3.
What are the key properties of 3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine?
3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine has a molecular weight of 191.64 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-methylpyrazol-5-yl)-3-fluoropropan-1-amine is sourced from PubChem (CID 114667938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).