1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine

C10H18FN3 — CID 81112978

IUPAC1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cnn(CCCF)c1
InChIInChI=1S/C10H18FN3/c1-3-10(12-2)9-7-13-14(8-9)6-4-5-11/h7-8,10,12H,3-6H2,1-2H3
InChIKeySJRSKQJLUZNXFW-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.91
Rot. Bonds6

About 1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine

1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine (PubChem CID 81112978) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine
PubChem CID81112978
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cnn(CCCF)c1
InChIInChI=1S/C10H18FN3/c1-3-10(12-2)9-7-13-14(8-9)6-4-5-11/h7-8,10,12H,3-6H2,1-2H3
InChIKeySJRSKQJLUZNXFW-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine (CID 81112978) is 1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine is CCC(NC)c1cnn(CCCF)c1.
What is the InChIKey of 1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is SJRSKQJLUZNXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-3-10(12-2)9-7-13-14(8-9)6-4-5-11/h7-8,10,12H,3-6H2,1-2H3.
What are the key properties of 1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine?
1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 199.27 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 81112978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).