(4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C15H16ClF3N6O — CID 91631569

IUPAC(4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCn1cc(Cl)c(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1
InChIInChI=1S/C15H16ClF3N6O/c1-2-25-8-10(16)13(22-25)14(26)24-5-3-23(4-6-24)12-7-11(15(17,18)19)20-9-21-12/h7-9H,2-6H2,1H3
InChIKeyLBVKIAJFEZIMPV-UHFFFAOYSA-N
MW388.78 g/mol
LogP2.33
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

(4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 91631569) has the molecular formula C15H16ClF3N6O and a molecular weight of 388.78 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID91631569
Molecular FormulaC15H16ClF3N6O
Molecular Weight388.78 g/mol
Exact Mass388.10
IUPAC Name(4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCCn1cc(Cl)c(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1
InChIInChI=1S/C15H16ClF3N6O/c1-2-25-8-10(16)13(22-25)14(26)24-5-3-23(4-6-24)12-7-11(15(17,18)19)20-9-21-12/h7-9H,2-6H2,1H3
InChIKeyLBVKIAJFEZIMPV-UHFFFAOYSA-N
XLogP2.33
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
(2-Methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770296
2-{4-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-1-piperazinyl}pyrimidine
CID 4769678
(4-Chloro-1-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-yl-piperazin-1-yl)-methanone
CID 653135
3-Chloro-2-[(2-ethyl-1-piperidinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 2982117
5-chloro-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47083749
(5-Chloro-2-methylpyrimidin-4-yl)-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72125336
1-ethyl-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-1H-pyrazole-5-carboxamide
CID 91631464
(1-methyl-1H-pyrazol-5-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631552
(4-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)(1H-pyrazol-3-yl)methanone
CID 91631619
1H-pyrazol-5-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 53592971
[2-[butyl(methyl)amino]-5-chloropyrimidin-4-yl]-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)methanone
CID 56821146

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 91631569) is (4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is CCn1cc(Cl)c(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is LBVKIAJFEZIMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N6O/c1-2-25-8-10(16)13(22-25)14(26)24-5-3-23(4-6-24)12-7-11(15(17,18)19)20-9-21-12/h7-9H,2-6H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 388.78 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-3-yl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 91631569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).