N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C13H18N4O — CID 65383877

IUPACN-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCOc1ccc(NC(CN)c2cnn(C)c2)cc1
InChIInChI=1S/C13H18N4O/c1-17-9-10(8-15-17)13(7-14)16-11-3-5-12(18-2)6-4-11/h3-6,8-9,13,16H,7,14H2,1-2H3
InChIKeyDPLNPBYXWZYSPL-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.54
Rot. Bonds5

About N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 65383877) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID65383877
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCOc1ccc(NC(CN)c2cnn(C)c2)cc1
InChIInChI=1S/C13H18N4O/c1-17-9-10(8-15-17)13(7-14)16-11-3-5-12(18-2)6-4-11/h3-6,8-9,13,16H,7,14H2,1-2H3
InChIKeyDPLNPBYXWZYSPL-UHFFFAOYSA-N
XLogP1.54
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65376288
1-(4-bromophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65385796
2-(4-bromoanilino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61049265
N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65379188
1-(4-methoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485945
3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43124177
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 75428716
N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 83012078
ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate
CID 43199855
1-(2,5-dimethylthiophen-3-yl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65384943
1-(4-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79769854
(2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol
CID 164629409

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 65383877) is N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is COc1ccc(NC(CN)c2cnn(C)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is DPLNPBYXWZYSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17-9-10(8-15-17)13(7-14)16-11-3-5-12(18-2)6-4-11/h3-6,8-9,13,16H,7,14H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 246.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 65383877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).