4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol

C12H15N3O — CID 115093107

IUPAC4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol
SMILESCn1nc(Cc2ccc(O)cc2)cc1CN
InChIInChI=1S/C12H15N3O/c1-15-11(8-13)7-10(14-15)6-9-2-4-12(16)5-3-9/h2-5,7,16H,6,8,13H2,1H3
InChIKeyZFQVKQQRRQVWIJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.18
Rot. Bonds3

About 4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol

4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol (PubChem CID 115093107) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol
PubChem CID115093107
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol
SMILESCn1nc(Cc2ccc(O)cc2)cc1CN
InChIInChI=1S/C12H15N3O/c1-15-11(8-13)7-10(14-15)6-9-2-4-12(16)5-3-9/h2-5,7,16H,6,8,13H2,1H3
InChIKeyZFQVKQQRRQVWIJ-UHFFFAOYSA-N
XLogP1.18
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine
CID 115092957
4-[[3-(aminomethyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-yl]methyl]phenol
CID 145427495
4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol
CID 114704497
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
3-benzyl-1,5-dimethylpyrazole
CID 13225476
(3-tert-butyl-1-methylpyrazol-5-yl)methanamine
CID 66644048
(1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine
CID 83851779
4-[[3-(2-aminoethyl)-1-(2,4-dichlorophenyl)pyrazol-5-yl]methyl]phenol
CID 145427469
4-[[3-(aminomethyl)-1-(2-chloro-4-ethoxyphenyl)pyrazol-5-yl]methyl]phenol
CID 145427456
[1-methyl-5-(2-naphthalen-2-ylethyl)pyrazol-3-yl]methanamine
CID 155103964
3-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carbaldehyde
CID 115093132
4-(aminomethyl)phenol;ethane;tungsten;hydrate
CID 169128634

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol?
The IUPAC name of 4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol (CID 115093107) is 4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol?
The canonical SMILES for 4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol is Cn1nc(Cc2ccc(O)cc2)cc1CN.
What is the InChIKey of 4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol?
The InChIKey is ZFQVKQQRRQVWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-11(8-13)7-10(14-15)6-9-2-4-12(16)5-3-9/h2-5,7,16H,6,8,13H2,1H3.
What are the key properties of 4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol?
4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol has a molecular weight of 217.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol is sourced from PubChem (CID 115093107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).