N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine

C14H18F3N7 — CID 87864007

IUPACN-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine
SMILESCc1cc(Nc2cncc(CN3CCN(C(F)(F)F)CC3)n2)n[nH]1
InChIInChI=1S/C14H18F3N7/c1-10-6-12(22-21-10)20-13-8-18-7-11(19-13)9-23-2-4-24(5-3-23)14(15,16)17/h6-8H,2-5,9H2,1H3,(H2,19,20,21,22)
InChIKeySHRHOTAYSSQCDO-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.89
Rot. Bonds4

About N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine

N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine (PubChem CID 87864007) has the molecular formula C14H18F3N7 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine
PubChem CID87864007
Molecular FormulaC14H18F3N7
Molecular Weight341.34 g/mol
Exact Mass341.16
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine
SMILESCc1cc(Nc2cncc(CN3CCN(C(F)(F)F)CC3)n2)n[nH]1
InChIInChI=1S/C14H18F3N7/c1-10-6-12(22-21-10)20-13-8-18-7-11(19-13)9-23-2-4-24(5-3-23)14(15,16)17/h6-8H,2-5,9H2,1H3,(H2,19,20,21,22)
InChIKeySHRHOTAYSSQCDO-UHFFFAOYSA-N
XLogP1.89
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-fluorobenzaldehyde;N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine
CID 87864006
[2-chloro-3-(trifluoromethyl)phenyl]-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 11719921
5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 126990232
(2,3-dichlorophenyl)-[4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 68678438
ethane;5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 142930412
6-N-(1-methyl-3,4-dihydroisoquinolin-7-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine
CID 68879370
[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylate
CID 175223802
(2S,4S)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]methyl]piperidine-4-carboxylic acid
CID 164812363
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-[1,3]oxazolo[5,4-c]pyridin-7-amine
CID 69196784
2-chloro-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 58255169
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 141264848
5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 58255060

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine (CID 87864007) is N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine is Cc1cc(Nc2cncc(CN3CCN(C(F)(F)F)CC3)n2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine?
The InChIKey is SHRHOTAYSSQCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N7/c1-10-6-12(22-21-10)20-13-8-18-7-11(19-13)9-23-2-4-24(5-3-23)14(15,16)17/h6-8H,2-5,9H2,1H3,(H2,19,20,21,22).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine?
N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine has a molecular weight of 341.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-6-[[4-(trifluoromethyl)piperazin-1-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 87864007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).