2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol

C16H13ClFN3O — CID 174532656

IUPAC2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol
SMILESNCc1ccc(-n2nccc2-c2ccc(F)cc2O)cc1Cl
InChIInChI=1S/C16H13ClFN3O/c17-14-8-12(3-1-10(14)9-19)21-15(5-6-20-21)13-4-2-11(18)7-16(13)22/h1-8,22H,9,19H2
InChIKeyJOOIBZYEAQNGCW-UHFFFAOYSA-N
MW317.75 g/mol
LogP3.50
Rot. Bonds3

About 2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol

2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol (PubChem CID 174532656) has the molecular formula C16H13ClFN3O and a molecular weight of 317.75 g/mol. Its IUPAC name is 2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol
PubChem CID174532656
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
Exact Mass317.07
IUPAC Name2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol
SMILESNCc1ccc(-n2nccc2-c2ccc(F)cc2O)cc1Cl
InChIInChI=1S/C16H13ClFN3O/c17-14-8-12(3-1-10(14)9-19)21-15(5-6-20-21)13-4-2-11(18)7-16(13)22/h1-8,22H,9,19H2
InChIKeyJOOIBZYEAQNGCW-UHFFFAOYSA-N
XLogP3.50
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-6-(2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
CID 353508
5-(5-Chloro-2-hydroxy-4-methylphenyl)-1-phenylpyrazole
CID 854141
4-chloro-2-[(Z)-C-[1-(3,4-difluorophenyl)pyrazol-4-yl]-N-hydroxycarbonimidoyl]phenol
CID 136199938
2-[2-(2-Fluorophenyl)pyrazol-3-yl]phenol
CID 135465517
5-(5-(4-Amino-2-chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163234013
5-(5-(2-Chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163234162
5-(5-Chloro-2-hydroxyphenyl)-1-phenylpyrazole acetate
CID 135705191
3-[[[1-(3-Chlorophenyl)pyrazol-3-yl]methylamino]methyl]phenol
CID 177924103
4-[2-(2-Chlorophenyl)pyrazol-3-yl]benzene-1,3-diol
CID 136382722
2-[3-[(E)-2-(3-chlorophenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
CID 172442008
2-[3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
CID 172446982
2-[3-[(E)-2-(2-chlorophenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
CID 172452771

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol?
The IUPAC name of 2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol (CID 174532656) is 2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol.
What is the SMILES notation for 2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol?
The canonical SMILES for 2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol is NCc1ccc(-n2nccc2-c2ccc(F)cc2O)cc1Cl.
What is the InChIKey of 2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol?
The InChIKey is JOOIBZYEAQNGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O/c17-14-8-12(3-1-10(14)9-19)21-15(5-6-20-21)13-4-2-11(18)7-16(13)22/h1-8,22H,9,19H2.
What are the key properties of 2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol?
2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol has a molecular weight of 317.75 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(aminomethyl)-3-chlorophenyl]pyrazol-3-yl]-5-fluorophenol is sourced from PubChem (CID 174532656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).