N-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

C12H10ClF4N3 — CID 122150076

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESFc1ccc(Cl)c(CNc2ccn(CC(F)(F)F)n2)c1
InChIInChI=1S/C12H10ClF4N3/c13-10-2-1-9(14)5-8(10)6-18-11-3-4-20(19-11)7-12(15,16)17/h1-5H,6-7H2,(H,18,19)
InChIKeyWAOJCDCLPJPBNQ-UHFFFAOYSA-N
MW307.68 g/mol
LogP3.85
Rot. Bonds4

About N-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

N-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 122150076) has the molecular formula C12H10ClF4N3 and a molecular weight of 307.68 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID122150076
Molecular FormulaC12H10ClF4N3
Molecular Weight307.68 g/mol
Exact Mass307.05
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESFc1ccc(Cl)c(CNc2ccn(CC(F)(F)F)n2)c1
InChIInChI=1S/C12H10ClF4N3/c13-10-2-1-9(14)5-8(10)6-18-11-3-4-20(19-11)7-12(15,16)17/h1-5H,6-7H2,(H,18,19)
InChIKeyWAOJCDCLPJPBNQ-UHFFFAOYSA-N
XLogP3.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.68
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 114251895
3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide
CID 75393027
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 102615547
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
CID 102616038
N-[(2-chloro-5-fluorophenyl)methyl]-2-imidazol-1-ylethanamine
CID 102615563
3-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-4-fluoroaniline
CID 102615901
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole
CID 102620264
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylbutan-1-amine
CID 103461305
N-pentan-3-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 115929500
2-[(2-chloro-5-fluorophenyl)methylamino]-2-methylpropane-1,3-diol
CID 102609433
N-[(2-chloro-5-fluorophenyl)methyl]-3,3-dimethylbutan-1-amine
CID 102616001
2-chloro-N-[(2-chloro-5-fluorophenyl)methyl]-6-fluoroaniline
CID 102616009

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 122150076) is N-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is Fc1ccc(Cl)c(CNc2ccn(CC(F)(F)F)n2)c1.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is WAOJCDCLPJPBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF4N3/c13-10-2-1-9(14)5-8(10)6-18-11-3-4-20(19-11)7-12(15,16)17/h1-5H,6-7H2,(H,18,19).
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
N-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 307.68 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 122150076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).