N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine

C11H10F3N3 — CID 175103195

IUPACN-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine
SMILESCNc1cnn(Cc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C11H10F3N3/c1-15-8-4-16-17(6-8)5-7-2-3-9(12)11(14)10(7)13/h2-4,6,15H,5H2,1H3
InChIKeyCFUZDWHTPITPSK-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.39
Rot. Bonds3

About N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine

N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine (PubChem CID 175103195) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound NameN-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine
PubChem CID175103195
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC NameN-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine
SMILESCNc1cnn(Cc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C11H10F3N3/c1-15-8-4-16-17(6-8)5-7-2-3-9(12)11(14)10(7)13/h2-4,6,15H,5H2,1H3
InChIKeyCFUZDWHTPITPSK-UHFFFAOYSA-N
XLogP2.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine
CID 175351355
1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride
CID 175103248
ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol
CID 171834591
N-methyl-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazol-4-amine
CID 175094718
N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine
CID 175103216
1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiourea
CID 19343967
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 55110682
3-(4-chloropyrazol-1-yl)-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19539553
1-[(4-chloro-2-fluorophenyl)methyl]-4-(chloromethyl)pyrazole
CID 114859114
3-amino-N-[1-[(2,3-difluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
CID 155212408
N-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine
CID 175103199
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine?
The IUPAC name of N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine (CID 175103195) is N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine?
The canonical SMILES for N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine is CNc1cnn(Cc2ccc(F)c(F)c2F)c1.
What is the InChIKey of N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine?
The InChIKey is CFUZDWHTPITPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-15-8-4-16-17(6-8)5-7-2-3-9(12)11(14)10(7)13/h2-4,6,15H,5H2,1H3.
What are the key properties of N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine?
N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine has a molecular weight of 241.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 175103195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).