3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine

C17H18N4O2 — CID 17037900

IUPAC3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine
SMILESCOc1ccccc1Nc1cc(Nc2ccccc2OC)[nH]n1
InChIInChI=1S/C17H18N4O2/c1-22-14-9-5-3-7-12(14)18-16-11-17(21-20-16)19-13-8-4-6-10-15(13)23-2/h3-11H,1-2H3,(H3,18,19,20,21)
InChIKeyMQMRNAFIVASLBT-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.91
Rot. Bonds6

About 3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine

3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine (PubChem CID 17037900) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine
PubChem CID17037900
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine
SMILESCOc1ccccc1Nc1cc(Nc2ccccc2OC)[nH]n1
InChIInChI=1S/C17H18N4O2/c1-22-14-9-5-3-7-12(14)18-16-11-17(21-20-16)19-13-8-4-6-10-15(13)23-2/h3-11H,1-2H3,(H3,18,19,20,21)
InChIKeyMQMRNAFIVASLBT-UHFFFAOYSA-N
XLogP3.91
TPSA71.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine?
The IUPAC name of 3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine (CID 17037900) is 3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine?
The canonical SMILES for 3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine is COc1ccccc1Nc1cc(Nc2ccccc2OC)[nH]n1.
What is the InChIKey of 3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine?
The InChIKey is MQMRNAFIVASLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-22-14-9-5-3-7-12(14)18-16-11-17(21-20-16)19-13-8-4-6-10-15(13)23-2/h3-11H,1-2H3,(H3,18,19,20,21).
What are the key properties of 3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine?
3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine has a molecular weight of 310.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(2-methoxyphenyl)-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 17037900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).