(3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine

C17H27F3N4 — CID 99852323

IUPAC(3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine
SMILESCc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1C[C@@H](C)N(C2CC2)C1
InChIInChI=1S/C17H27F3N4/c1-10-7-14(8-23(10)15-5-6-15)21-11(2)16-12(3)22-24(13(16)4)9-17(18,19)20/h10-11,14-15,21H,5-9H2,1-4H3/t10-,11+,14-/m1/s1
InChIKeyPAXSWWDWSTWKIY-UHIISALHSA-N
MW344.43 g/mol
LogP3.34
Rot. Bonds5

About (3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine

(3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine (PubChem CID 99852323) has the molecular formula C17H27F3N4 and a molecular weight of 344.43 g/mol. Its IUPAC name is (3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine
PubChem CID99852323
Molecular FormulaC17H27F3N4
Molecular Weight344.43 g/mol
Exact Mass344.22
IUPAC Name(3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine
SMILESCc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1C[C@@H](C)N(C2CC2)C1
InChIInChI=1S/C17H27F3N4/c1-10-7-14(8-23(10)15-5-6-15)21-11(2)16-12(3)22-24(13(16)4)9-17(18,19)20/h10-11,14-15,21H,5-9H2,1-4H3/t10-,11+,14-/m1/s1
InChIKeyPAXSWWDWSTWKIY-UHIISALHSA-N
XLogP3.34
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine?
The IUPAC name of (3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine (CID 99852323) is (3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine.
What is the SMILES notation for (3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine?
The canonical SMILES for (3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine is Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1C[C@@H](C)N(C2CC2)C1.
What is the InChIKey of (3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine?
The InChIKey is PAXSWWDWSTWKIY-UHIISALHSA-N. The full InChI is InChI=1S/C17H27F3N4/c1-10-7-14(8-23(10)15-5-6-15)21-11(2)16-12(3)22-24(13(16)4)9-17(18,19)20/h10-11,14-15,21H,5-9H2,1-4H3/t10-,11+,14-/m1/s1.
What are the key properties of (3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine?
(3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine has a molecular weight of 344.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-cyclopropyl-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-5-methylpyrrolidin-3-amine is sourced from PubChem (CID 99852323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).