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

C13H14F3N5 — CID 95569651

IUPAC2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCn1cc([C@H]2CCCN2c2nccc(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/t10-/m1/s1
InChIKeyTYSLCWCOIOJITO-SNVBAGLBSA-N
MW297.28 g/mol
LogP2.57
Rot. Bonds2

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

2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 95569651) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID95569651
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCn1cc([C@H]2CCCN2c2nccc(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/t10-/m1/s1
InChIKeyTYSLCWCOIOJITO-SNVBAGLBSA-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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Related Compounds

4-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 56778077
1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-8-(2-pyrimidinyl)-1,8-diazaspiro[4.5]decane
CID 70779935
N,N-dimethyl-1-[2-[1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
CID 110117217
2-[(2S)-2-methylazetidin-1-yl]-4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidine
CID 169449373
4-Propan-2-yl-2-pyrazol-1-ylpyrimidine
CID 134968872
4-(1-Ethyl-1H-pyrazol-4-YL)-2-(1-pyrrolidinyl)-6-(trifluoromethyl)pyrimidine
CID 44821938
6-ethyl-N~2~,N~2~,N~4~-trimethyl-N~4~-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 50955306
2-(1-methyl-1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56863891
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56867705
2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)pyrrolidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56880320
N-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56917933
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-4-[3-(1-methylpyrazol-4-yl)propyl]piperazine
CID 71857315

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 95569651) is 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine is Cn1cc([C@H]2CCCN2c2nccc(C(F)(F)F)n2)cn1.
What is the InChIKey of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is TYSLCWCOIOJITO-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[(2R)-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-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 95569651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).