2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine

C11H11F3N4 — CID 56863891

IUPAC2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESCn1cc(-c2nccc(CCC(F)(F)F)n2)cn1
InChIInChI=1S/C11H11F3N4/c1-18-7-8(6-16-18)10-15-5-3-9(17-10)2-4-11(12,13)14/h3,5-7H,2,4H2,1H3
InChIKeyYIGAKFLRHBEBOH-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.37
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine

2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 56863891) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID56863891
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESCn1cc(-c2nccc(CCC(F)(F)F)n2)cn1
InChIInChI=1S/C11H11F3N4/c1-18-7-8(6-16-18)10-15-5-3-9(17-10)2-4-11(12,13)14/h3,5-7H,2,4H2,1H3
InChIKeyYIGAKFLRHBEBOH-UHFFFAOYSA-N
XLogP2.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-methylpyrazol-3-yl]-2-methylpropanenitrile
CID 72191820
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
2-N-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201490
2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-pyrimidinecarbonitrile
CID 2766549
7-Cyclopropylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1485518
7-Cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine
CID 1485522
4-N-methyl-2-N-[5-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191208
4-N-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191509
3-methyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 75201524
2-Chloro-4-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 24820363
2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 30464906
US11214565, Example A-31
CID 135374427

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine (CID 56863891) is 2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine is Cn1cc(-c2nccc(CCC(F)(F)F)n2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is YIGAKFLRHBEBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-18-7-8(6-16-18)10-15-5-3-9(17-10)2-4-11(12,13)14/h3,5-7H,2,4H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine?
2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 256.23 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 56863891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).