1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine

C11H17F3N4 — CID 165389423

IUPAC1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine
SMILESCn1nc([C@H]2CCN(CCC(F)(F)F)C2)cc1N
InChIInChI=1S/C11H17F3N4/c1-17-10(15)6-9(16-17)8-2-4-18(7-8)5-3-11(12,13)14/h6,8H,2-5,7,15H2,1H3/t8-/m0/s1
InChIKeyPMOOKZLTSWXULU-QMMMGPOBSA-N
MW262.28 g/mol
LogP1.74
Rot. Bonds3

About 1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine

1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine (PubChem CID 165389423) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine
PubChem CID165389423
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine
SMILESCn1nc([C@H]2CCN(CCC(F)(F)F)C2)cc1N
InChIInChI=1S/C11H17F3N4/c1-17-10(15)6-9(16-17)8-2-4-18(7-8)5-3-11(12,13)14/h6,8H,2-5,7,15H2,1H3/t8-/m0/s1
InChIKeyPMOOKZLTSWXULU-QMMMGPOBSA-N
XLogP1.74
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine?
The IUPAC name of 1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine (CID 165389423) is 1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine is Cn1nc([C@H]2CCN(CCC(F)(F)F)C2)cc1N.
What is the InChIKey of 1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine?
The InChIKey is PMOOKZLTSWXULU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-17-10(15)6-9(16-17)8-2-4-18(7-8)5-3-11(12,13)14/h6,8H,2-5,7,15H2,1H3/t8-/m0/s1.
What are the key properties of 1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine?
1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine has a molecular weight of 262.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3S)-1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]pyrazol-5-amine is sourced from PubChem (CID 165389423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).