2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol

C10H12N4O2 — CID 115056385

IUPAC2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol
SMILESNc1nn(-c2ccccc2O)c(N)c1CO
InChIInChI=1S/C10H12N4O2/c11-9-6(5-15)10(12)14(13-9)7-3-1-2-4-8(7)16/h1-4,15-16H,5,12H2,(H2,11,13)
InChIKeyUUUVNSWGOAQRCH-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.23
Rot. Bonds2

About 2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol

2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol (PubChem CID 115056385) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol
PubChem CID115056385
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol
SMILESNc1nn(-c2ccccc2O)c(N)c1CO
InChIInChI=1S/C10H12N4O2/c11-9-6(5-15)10(12)14(13-9)7-3-1-2-4-8(7)16/h1-4,15-16H,5,12H2,(H2,11,13)
InChIKeyUUUVNSWGOAQRCH-UHFFFAOYSA-N
XLogP0.23
TPSA110.32 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
CID 115056348
[3,5-diamino-1-(3-methoxyphenyl)pyrazol-4-yl]methanol
CID 115056455
4-(2-aminoethyl)-1-(2-methylphenyl)pyrazole-3,5-diamine
CID 115056349
4-(2-aminoethyl)-1-(2-methoxyphenyl)pyrazole-3,5-diamine
CID 115056392
2-(3,5-diamino-1-phenylpyrazol-4-yl)acetic acid
CID 115056344
2-[3-amino-1-(2-hydroxyphenyl)pyrazol-5-yl]acetic acid
CID 83863982
2-[3-amino-4-(2-aminoethyl)pyrazol-1-yl]phenol
CID 83888216
2-(3-amino-4-chloropyrazol-1-yl)phenol
CID 112711611
2-[4,5-bis(hydroxymethyl)imidazol-1-yl]phenol
CID 174746692
2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol
CID 115056429
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
2-(5-amino-4-cyclobutyltriazol-1-yl)phenol
CID 105488080

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol?
The IUPAC name of 2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol (CID 115056385) is 2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol is Nc1nn(-c2ccccc2O)c(N)c1CO.
What is the InChIKey of 2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol?
The InChIKey is UUUVNSWGOAQRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-9-6(5-15)10(12)14(13-9)7-3-1-2-4-8(7)16/h1-4,15-16H,5,12H2,(H2,11,13).
What are the key properties of 2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol?
2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol has a molecular weight of 220.23 g/mol, XLogP of 0.23, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diamino-4-(hydroxymethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 115056385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).