4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine

C10H12N4O — CID 106748568

IUPAC4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine
SMILESCn1cc(Oc2ccc(N)c(N)c2)cn1
InChIInChI=1S/C10H12N4O/c1-14-6-8(5-13-14)15-7-2-3-9(11)10(12)4-7/h2-6H,11-12H2,1H3
InChIKeyIGGYNRGEFAKFSS-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.38
Rot. Bonds2

About 4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine

4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine (PubChem CID 106748568) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine
PubChem CID106748568
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine
SMILESCn1cc(Oc2ccc(N)c(N)c2)cn1
InChIInChI=1S/C10H12N4O/c1-14-6-8(5-13-14)15-7-2-3-9(11)10(12)4-7/h2-6H,11-12H2,1H3
InChIKeyIGGYNRGEFAKFSS-UHFFFAOYSA-N
XLogP1.38
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-((1-methyl-1H-pyrazol-4-yl)oxy)aniline
CID 69194299
3-fluoro-4-((1-methyl-1H-pyrazol-4-yl)methoxy)aniline
CID 19627211
2-[(1-ethyl-1H-pyrazol-5-yl)methoxy]aniline
CID 50896804
2-[(1-methyl-1H-pyrazol-5-yl)methoxy]aniline
CID 50896796
3-fluoro-4-[(1-methyl-1H-pyrazol-5-yl)methoxy]aniline
CID 50896803
N-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylethoxy)aniline
CID 75384994
4-(1-methyl-5-trifluoromethyl-1H-pyrazol-3-yloxy)-o-phenylenediamine
CID 19775932
4-(2-Fluoro-4-nitrophenoxy)-1-methylpyrazole
CID 86816262
N,N-dichloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]oxyaniline
CID 88440726
4-Ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole
CID 141324032
2-Fluoro-4-[1-(1-fluoro-2-methylpropan-2-yl)pyrazol-3-yl]oxyaniline
CID 156371176
2-[3-(4-amino-2-fluorophenoxy)-5-[(1-methylpyrazol-4-yl)amino]-1H-pyridin-2-ylidene]ethylazanium
CID 164064165

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine (CID 106748568) is 4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine is Cn1cc(Oc2ccc(N)c(N)c2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine?
The InChIKey is IGGYNRGEFAKFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-14-6-8(5-13-14)15-7-2-3-9(11)10(12)4-7/h2-6H,11-12H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine?
4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine has a molecular weight of 204.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)oxybenzene-1,2-diamine is sourced from PubChem (CID 106748568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).