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

C10H9ClFN3 — CID 102616038

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
SMILESNc1ccn(Cc2cc(F)ccc2Cl)n1
InChIInChI=1S/C10H9ClFN3/c11-9-2-1-8(12)5-7(9)6-15-4-3-10(13)14-15/h1-5H,6H2,(H2,13,14)
InChIKeyPGGUDCOSKORESF-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.31
Rot. Bonds2

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

1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine (PubChem CID 102616038) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
PubChem CID102616038
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
SMILESNc1ccn(Cc2cc(F)ccc2Cl)n1
InChIInChI=1S/C10H9ClFN3/c11-9-2-1-8(12)5-7(9)6-15-4-3-10(13)14-15/h1-5H,6H2,(H2,13,14)
InChIKeyPGGUDCOSKORESF-UHFFFAOYSA-N
XLogP2.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine
CID 42281976
1-[(2,4-difluorophenyl)methyl]pyrazol-3-amine
CID 50999564
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole
CID 102620264
[1-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 102619772
N-[[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 102620396
1-[(2,3-difluorophenyl)methyl]pyrazol-3-amine
CID 60783235
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol
CID 102622243
1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine
CID 66752411
1-[[4-chloro-3-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine
CID 118560463
[1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol
CID 102619773
1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 102620265
5-amino-2-[(2-chloro-5-fluorophenyl)methyl]isoindole-1,3-dione
CID 102616030

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine (CID 102616038) is 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine is Nc1ccn(Cc2cc(F)ccc2Cl)n1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine?
The InChIKey is PGGUDCOSKORESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c11-9-2-1-8(12)5-7(9)6-15-4-3-10(13)14-15/h1-5H,6H2,(H2,13,14).
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine?
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine has a molecular weight of 225.65 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 102616038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).