3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine

C11H19FN4 — CID 165389413

IUPAC3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine
SMILESCn1nc([C@H]2CCN(CCCF)C2)cc1N
InChIInChI=1S/C11H19FN4/c1-15-11(13)7-10(14-15)9-3-6-16(8-9)5-2-4-12/h7,9H,2-6,8,13H2,1H3/t9-/m0/s1
InChIKeyFGPWCHWHHCZZHR-VIFPVBQESA-N
MW226.30 g/mol
LogP1.15
Rot. Bonds4

About 3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine

3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine (PubChem CID 165389413) has the molecular formula C11H19FN4 and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine
PubChem CID165389413
Molecular FormulaC11H19FN4
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine
SMILESCn1nc([C@H]2CCN(CCCF)C2)cc1N
InChIInChI=1S/C11H19FN4/c1-15-11(13)7-10(14-15)9-3-6-16(8-9)5-2-4-12/h7,9H,2-6,8,13H2,1H3/t9-/m0/s1
InChIKeyFGPWCHWHHCZZHR-VIFPVBQESA-N
XLogP1.15
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine (CID 165389413) is 3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine is Cn1nc([C@H]2CCN(CCCF)C2)cc1N.
What is the InChIKey of 3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine?
The InChIKey is FGPWCHWHHCZZHR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19FN4/c1-15-11(13)7-10(14-15)9-3-6-16(8-9)5-2-4-12/h7,9H,2-6,8,13H2,1H3/t9-/m0/s1.
What are the key properties of 3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine?
3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine has a molecular weight of 226.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 165389413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).