2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine

C13H14F3N5 — CID 56825114

IUPAC2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCn1cc(C2CCCN2c2nccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C13H14F3N5/c1-20-8-9(7-18-20)10-3-2-6-21(10)12-17-5-4-11(19-12)13(14,15)16/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyTYSLCWCOIOJITO-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.57
Rot. Bonds2

About 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 56825114) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID56825114
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCn1cc(C2CCCN2c2nccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C13H14F3N5/c1-20-8-9(7-18-20)10-3-2-6-21(10)12-17-5-4-11(19-12)13(14,15)16/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyTYSLCWCOIOJITO-UHFFFAOYSA-N
XLogP2.57
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 56825114) is 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine is Cn1cc(C2CCCN2c2nccc(C(F)(F)F)n2)cn1.
What is the InChIKey of 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is TYSLCWCOIOJITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c1-20-8-9(7-18-20)10-3-2-6-21(10)12-17-5-4-11(19-12)13(14,15)16/h4-5,7-8,10H,2-3,6H2,1H3.
What are the key properties of 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 297.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 56825114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).