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

C11H14N4O — CID 115069565

IUPAC3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol
SMILESNCc1cnn(Cc2cccc(O)c2)c1N
InChIInChI=1S/C11H14N4O/c12-5-9-6-14-15(11(9)13)7-8-2-1-3-10(16)4-8/h1-4,6,16H,5,7,12-13H2
InChIKeyWFEQGXAQWNUKPI-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.68
Rot. Bonds3

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

3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol (PubChem CID 115069565) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol
PubChem CID115069565
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol
SMILESNCc1cnn(Cc2cccc(O)c2)c1N
InChIInChI=1S/C11H14N4O/c12-5-9-6-14-15(11(9)13)7-8-2-1-3-10(16)4-8/h1-4,6,16H,5,7,12-13H2
InChIKeyWFEQGXAQWNUKPI-UHFFFAOYSA-N
XLogP0.68
TPSA90.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol
CID 117232577
[1-[(3-bromophenyl)methyl]-5-(difluoromethyl)pyrazol-4-yl]methanamine
CID 66441405
[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methanamine
CID 63278587
5-(3-aminopropoxy)-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223183
3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol
CID 82702929
5-[2-aminoethyl(methyl)amino]-2-[(3-hydroxyphenyl)methyl]pyridazin-3-one
CID 103223394
4-chloro-1-[[3-(difluoromethyl)phenyl]methyl]pyrazol-5-amine
CID 113328791
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide
CID 83240421
3-[[(1-ethyl-5-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627475
[5-amino-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanol
CID 115069654
4-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
CID 115069683

Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol (CID 115069565) is 3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol is NCc1cnn(Cc2cccc(O)c2)c1N.
What is the InChIKey of 3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol?
The InChIKey is WFEQGXAQWNUKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-5-9-6-14-15(11(9)13)7-8-2-1-3-10(16)4-8/h1-4,6,16H,5,7,12-13H2.
What are the key properties of 3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol?
3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol has a molecular weight of 218.26 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol is sourced from PubChem (CID 115069565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).