2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine

C13H14F3N5 — CID 154580624

IUPAC2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCc1cnn(CC2CN(c3nccc(C(F)(F)F)n3)C2)c1
InChIInChI=1S/C13H14F3N5/c1-9-4-18-21(5-9)8-10-6-20(7-10)12-17-3-2-11(19-12)13(14,15)16/h2-5,10H,6-8H2,1H3
InChIKeyHGHOANHLXQKQPC-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.14
Rot. Bonds3

About 2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 154580624) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID154580624
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCc1cnn(CC2CN(c3nccc(C(F)(F)F)n3)C2)c1
InChIInChI=1S/C13H14F3N5/c1-9-4-18-21(5-9)8-10-6-20(7-10)12-17-3-2-11(19-12)13(14,15)16/h2-5,10H,6-8H2,1H3
InChIKeyHGHOANHLXQKQPC-UHFFFAOYSA-N
XLogP2.14
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 154580652
4-methyl-2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]pyrimidine
CID 171701827
2-[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-4-methylpyrimidine
CID 154575486
4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 72870635
4-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-2-methylsulfanylpyrimidine
CID 154583048
(3S,4R)-4-propyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 133110613
(3S,4R)-4-(1-methylimidazol-4-yl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 167790914
[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 26986145
5-[4-(trifluoromethyl)pyrimidin-2-yl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 146077895
N,N-diethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 72868639
(2R)-2-(pyrazol-1-ylmethyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-oxazepane
CID 97197141
2-[(3S)-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 143256089

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 154580624) is 2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine is Cc1cnn(CC2CN(c3nccc(C(F)(F)F)n3)C2)c1.
What is the InChIKey of 2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is HGHOANHLXQKQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c1-9-4-18-21(5-9)8-10-6-20(7-10)12-17-3-2-11(19-12)13(14,15)16/h2-5,10H,6-8H2,1H3.
What are the key properties of 2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 297.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylpyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 154580624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).