2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole

C12H13F3N4S — CID 124881863

IUPAC2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
SMILESCn1cc([C@H]2CCN(c3ncc(C(F)(F)F)s3)C2)cn1
InChIInChI=1S/C12H13F3N4S/c1-18-6-9(4-17-18)8-2-3-19(7-8)11-16-5-10(20-11)12(13,14)15/h4-6,8H,2-3,7H2,1H3/t8-/m0/s1
InChIKeyJQFKJMXYXILQQB-QMMMGPOBSA-N
MW302.33 g/mol
LogP2.89
Rot. Bonds2

About 2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole

2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 124881863) has the molecular formula C12H13F3N4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
PubChem CID124881863
Molecular FormulaC12H13F3N4S
Molecular Weight302.33 g/mol
Exact Mass302.08
IUPAC Name2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
SMILESCn1cc([C@H]2CCN(c3ncc(C(F)(F)F)s3)C2)cn1
InChIInChI=1S/C12H13F3N4S/c1-18-6-9(4-17-18)8-2-3-19(7-8)11-16-5-10(20-11)12(13,14)15/h4-6,8H,2-3,7H2,1H3/t8-/m0/s1
InChIKeyJQFKJMXYXILQQB-QMMMGPOBSA-N
XLogP2.89
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole (CID 124881863) is 2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole is Cn1cc([C@H]2CCN(c3ncc(C(F)(F)F)s3)C2)cn1.
What is the InChIKey of 2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is JQFKJMXYXILQQB-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13F3N4S/c1-18-6-9(4-17-18)8-2-3-19(7-8)11-16-5-10(20-11)12(13,14)15/h4-6,8H,2-3,7H2,1H3/t8-/m0/s1.
What are the key properties of 2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole?
2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 302.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 124881863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).