4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

C14H15F3N6 — CID 171789316

IUPAC4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1c(C=C2CCNCC2)c(C(F)(F)F)nn1-c1ncccn1
InChIInChI=1S/C14H15F3N6/c15-14(16,17)11-10(8-9-2-6-19-7-3-9)12(18)23(22-11)13-20-4-1-5-21-13/h1,4-5,8,19H,2-3,6-7,18H2
InChIKeyDIXYWTXGUHCYPQ-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.03
Rot. Bonds2

About 4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine

4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171789316) has the molecular formula C14H15F3N6 and a molecular weight of 324.31 g/mol. Its IUPAC name is 4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID171789316
Molecular FormulaC14H15F3N6
Molecular Weight324.31 g/mol
Exact Mass324.13
IUPAC Name4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
SMILESNc1c(C=C2CCNCC2)c(C(F)(F)F)nn1-c1ncccn1
InChIInChI=1S/C14H15F3N6/c15-14(16,17)11-10(8-9-2-6-19-7-3-9)12(18)23(22-11)13-20-4-1-5-21-13/h1,4-5,8,19H,2-3,6-7,18H2
InChIKeyDIXYWTXGUHCYPQ-UHFFFAOYSA-N
XLogP2.03
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789353
4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789288
4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 24849170
1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789431
4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789232
4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 66875265
2-[5-amino-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]-4,4-dimethylcyclohex-2-en-1-one
CID 171789319
4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789366
(Z)-3-[3-[5-amino-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]thiophen-2-yl]-1-cyclopropylprop-2-en-1-one
CID 171789272
4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789237
3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine
CID 102825799
methyl 3-[5-amino-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate
CID 171789291

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine (CID 171789316) is 4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is Nc1c(C=C2CCNCC2)c(C(F)(F)F)nn1-c1ncccn1.
What is the InChIKey of 4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is DIXYWTXGUHCYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6/c15-14(16,17)11-10(8-9-2-6-19-7-3-9)12(18)23(22-11)13-20-4-1-5-21-13/h1,4-5,8,19H,2-3,6-7,18H2.
What are the key properties of 4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine?
4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 324.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171789316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).