N-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine

C17H16F3N6+ — CID 173087049

IUPACN-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine
SMILESCc1cc(NC2=CN(c3ccccc3)CC3=NC(C(F)(F)F)=C[NH+]23)n[nH]1
InChIInChI=1S/C17H15F3N6/c1-11-7-14(24-23-11)22-16-10-25(12-5-3-2-4-6-12)9-15-21-13(8-26(15)16)17(18,19)20/h2-8,10H,9H2,1H3,(H2,22,23,24)/p+1
InChIKeyHUHQPGZFVHREFG-UHFFFAOYSA-O
MW361.35 g/mol
LogP2.15
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine

N-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine (PubChem CID 173087049) has the molecular formula C17H16F3N6+ and a molecular weight of 361.35 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine
PubChem CID173087049
Molecular FormulaC17H16F3N6+
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine
SMILESCc1cc(NC2=CN(c3ccccc3)CC3=NC(C(F)(F)F)=C[NH+]23)n[nH]1
InChIInChI=1S/C17H15F3N6/c1-11-7-14(24-23-11)22-16-10-25(12-5-3-2-4-6-12)9-15-21-13(8-26(15)16)17(18,19)20/h2-8,10H,9H2,1H3,(H2,22,23,24)/p+1
InChIKeyHUHQPGZFVHREFG-UHFFFAOYSA-O
XLogP2.15
TPSA60.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine
CID 173087306
N-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide
CID 173086620
5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 10657722
N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 10222301
N-(5-methyl-1H-pyrazol-3-yl)-4-piperidin-1-yl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 10294507
2-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 154274920
N-cyclopropyl-2-[3-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]sulfanyl]phenyl]acetamide
CID 173086997
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine
CID 46219448
3-[(5-methyl-1H-pyrazol-3-yl)amino]-4-[[(1R)-1-phenylethyl]amino]cyclobut-3-ene-1,2-dione
CID 25207351
N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-1,7-naphthyridin-4-amine;vanadium
CID 160764125
3-methyl-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]sulfanyl]phenyl]imidazole-4-sulfonamide
CID 173087370
1,1-diethyl-3-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]sulfanyl]phenyl]urea
CID 173087083

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine (CID 173087049) is N-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine is Cc1cc(NC2=CN(c3ccccc3)CC3=NC(C(F)(F)F)=C[NH+]23)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine?
The InChIKey is HUHQPGZFVHREFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H15F3N6/c1-11-7-14(24-23-11)22-16-10-25(12-5-3-2-4-6-12)9-15-21-13(8-26(15)16)17(18,19)20/h2-8,10H,9H2,1H3,(H2,22,23,24)/p+1.
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine?
N-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine has a molecular weight of 361.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine is sourced from PubChem (CID 173087049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).