4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol

C10H10FN3O — CID 115025014

IUPAC4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol
SMILESNCc1cnn(-c2ccc(O)cc2)c1F
InChIInChI=1S/C10H10FN3O/c11-10-7(5-12)6-13-14(10)8-1-3-9(15)4-2-8/h1-4,6,15H,5,12H2
InChIKeyKHBQUTRWKAMSFC-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.18
Rot. Bonds2

About 4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol

4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol (PubChem CID 115025014) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol
PubChem CID115025014
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol
SMILESNCc1cnn(-c2ccc(O)cc2)c1F
InChIInChI=1S/C10H10FN3O/c11-10-7(5-12)6-13-14(10)8-1-3-9(15)4-2-8/h1-4,6,15H,5,12H2
InChIKeyKHBQUTRWKAMSFC-UHFFFAOYSA-N
XLogP1.18
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine
CID 115050299
5-fluoro-1-(4-hydroxyphenyl)pyrazole-4-sulfonyl chloride
CID 115051113
2-[5-fluoro-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 115040037
2-[5-amino-1-(4-hydroxyphenyl)pyrazol-4-yl]acetonitrile
CID 131484759
4-[5-(aminomethyl)pyrazolo[5,4-b]pyridin-1-yl]phenol
CID 115043642
4-[4-ethyl-1-(4-hydroxyphenyl)pyrazol-5-yl]phenol
CID 136646088
(5-phenyl-1-pyridin-4-ylpyrazol-4-yl)methanamine
CID 61368343
4-(5-amino-4-chloropyrazol-1-yl)phenol
CID 112711594
[1-(4-methylphenyl)-5-phenylpyrazol-4-yl]methanamine
CID 61367384
(1-ethyl-5-fluoropyrazol-4-yl)methanamine
CID 115011510
[5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051853
2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]ethanol
CID 115069471

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol?
The IUPAC name of 4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol (CID 115025014) is 4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol.
What is the SMILES notation for 4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol?
The canonical SMILES for 4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol is NCc1cnn(-c2ccc(O)cc2)c1F.
What is the InChIKey of 4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol?
The InChIKey is KHBQUTRWKAMSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-10-7(5-12)6-13-14(10)8-1-3-9(15)4-2-8/h1-4,6,15H,5,12H2.
What are the key properties of 4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol?
4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol has a molecular weight of 207.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-5-fluoropyrazol-1-yl]phenol is sourced from PubChem (CID 115025014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).