4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine

C11H14N4O — CID 82237771

IUPAC4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine
SMILESCOc1ccc(Nc2cn[nH]c2N)c(C)c1
InChIInChI=1S/C11H14N4O/c1-7-5-8(16-2)3-4-9(7)14-10-6-13-15-11(10)12/h3-6,14H,1-2H3,(H3,12,13,15)
InChIKeyWLBNRSFSSGHOHF-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.05
Rot. Bonds3

About 4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine

4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine (PubChem CID 82237771) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine
PubChem CID82237771
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine
SMILESCOc1ccc(Nc2cn[nH]c2N)c(C)c1
InChIInChI=1S/C11H14N4O/c1-7-5-8(16-2)3-4-9(7)14-10-6-13-15-11(10)12/h3-6,14H,1-2H3,(H3,12,13,15)
InChIKeyWLBNRSFSSGHOHF-UHFFFAOYSA-N
XLogP2.05
TPSA75.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858
2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 55130091
4-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 62868013
2-N-(4-methoxy-2-methylphenyl)-1,3-thiazole-2,5-diamine
CID 102768352
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
4-fluoro-1-N-(4-methoxy-2-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103590332
4,5-dichloro-N-(4-methoxy-2-methylphenyl)-2-methylaniline
CID 139788451
5-iodo-N-(4-methoxy-2-methylphenyl)pyrimidin-2-amine
CID 116648971
4-fluoro-5-methoxy-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 63598024
6-methoxy-2-N-(4-methoxy-2-methylphenyl)pyridine-2,3-diamine
CID 115320740
4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80825346
1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine
CID 66012072

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine (CID 82237771) is 4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine is COc1ccc(Nc2cn[nH]c2N)c(C)c1.
What is the InChIKey of 4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine?
The InChIKey is WLBNRSFSSGHOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-5-8(16-2)3-4-9(7)14-10-6-13-15-11(10)12/h3-6,14H,1-2H3,(H3,12,13,15).
What are the key properties of 4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine?
4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine has a molecular weight of 218.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82237771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).