4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine

C14H20N4O2 — CID 83007960

IUPAC4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
SMILESCOc1cc(N)c(NCCc2cnn(C)c2)cc1OC
InChIInChI=1S/C14H20N4O2/c1-18-9-10(8-17-18)4-5-16-12-7-14(20-3)13(19-2)6-11(12)15/h6-9,16H,4-5,15H2,1-3H3
InChIKeyXCTAJNANZQIIDX-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds6

About 4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine

4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine (PubChem CID 83007960) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
PubChem CID83007960
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
SMILESCOc1cc(N)c(NCCc2cnn(C)c2)cc1OC
InChIInChI=1S/C14H20N4O2/c1-18-9-10(8-17-18)4-5-16-12-7-14(20-3)13(19-2)6-11(12)15/h6-9,16H,4-5,15H2,1-3H3
InChIKeyXCTAJNANZQIIDX-UHFFFAOYSA-N
XLogP1.67
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-5-fluoro-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 80684851
3-methoxy-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 113392755
6-N-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 80681156
4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 80681002
4-fluoro-2-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 113240613
4,5-dimethoxy-2-N-[2-(2-methylpyrazol-3-yl)ethyl]benzene-1,2-diamine
CID 103004508
3-amino-4-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 80680600
ethyl 4-amino-3-[2-(1-methylpyrazol-4-yl)ethylamino]benzoate
CID 82778103
7-amino-6-[2-(1-methylpyrazol-4-yl)ethylamino]-4H-1,4-benzoxazin-3-one
CID 80685011
5-methyl-2-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 80681081
3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 104540597
N-(2-amino-4,5-dimethoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 62063840

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine (CID 83007960) is 4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine is COc1cc(N)c(NCCc2cnn(C)c2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine?
The InChIKey is XCTAJNANZQIIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-18-9-10(8-17-18)4-5-16-12-7-14(20-3)13(19-2)6-11(12)15/h6-9,16H,4-5,15H2,1-3H3.
What are the key properties of 4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine?
4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine has a molecular weight of 276.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 83007960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).