[4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol

C11H14N4O2 — CID 23496381

IUPAC[4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol
SMILESCOc1ccc(-n2nc(CO)c(N)c2N)cc1
InChIInChI=1S/C11H14N4O2/c1-17-8-4-2-7(3-5-8)15-11(13)10(12)9(6-16)14-15/h2-5,16H,6,12-13H2,1H3
InChIKeyNISOVDZDTPONFK-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.54
Rot. Bonds3

About [4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol

[4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol (PubChem CID 23496381) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol
PubChem CID23496381
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name[4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol
SMILESCOc1ccc(-n2nc(CO)c(N)c2N)cc1
InChIInChI=1S/C11H14N4O2/c1-17-8-4-2-7(3-5-8)15-11(13)10(12)9(6-16)14-15/h2-5,16H,6,12-13H2,1H3
InChIKeyNISOVDZDTPONFK-UHFFFAOYSA-N
XLogP0.54
TPSA99.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol?
The IUPAC name of [4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol (CID 23496381) is [4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol is COc1ccc(-n2nc(CO)c(N)c2N)cc1.
What is the InChIKey of [4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol?
The InChIKey is NISOVDZDTPONFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-17-8-4-2-7(3-5-8)15-11(13)10(12)9(6-16)14-15/h2-5,16H,6,12-13H2,1H3.
What are the key properties of [4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol?
[4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol has a molecular weight of 234.26 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-diamino-1-(4-methoxyphenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 23496381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).