5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine

C19H21N3O4 — CID 53329390

IUPAC5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2[nH]nc(N)c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H21N3O4/c1-23-13-7-5-11(6-8-13)17-16(19(20)22-21-17)12-9-14(24-2)18(26-4)15(10-12)25-3/h5-10H,1-4H3,(H3,20,21,22)
InChIKeyKJOZDTMYYINTJW-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.36
Rot. Bonds6

About 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine

5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 53329390) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine
PubChem CID53329390
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(-c2[nH]nc(N)c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H21N3O4/c1-23-13-7-5-11(6-8-13)17-16(19(20)22-21-17)12-9-14(24-2)18(26-4)15(10-12)25-3/h5-10H,1-4H3,(H3,20,21,22)
InChIKeyKJOZDTMYYINTJW-UHFFFAOYSA-N
XLogP3.36
TPSA91.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

XN-0502
CID 46183322
4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-amine
CID 680670
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973276
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 91973278
6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-3H-benzo[e]indazole
CID 137348793
4-(4-ethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141435682
5-(4-ethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141435695
7-methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydro-3H-benzo[e]indazole
CID 141477178
2-[4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-5-[(2-methylprop-2-en-1-yl)oxy]phenol
CID 2001082
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 59430402
4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-methyl-1H-pyrazol-3-yl)benzene-1,3-diol
CID 767613
5-(3,4,5-triethoxyphenyl)-1H-pyrazol-3-amine
CID 5309707

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine (CID 53329390) is 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine is COc1ccc(-c2[nH]nc(N)c2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is KJOZDTMYYINTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-23-13-7-5-11(6-8-13)17-16(19(20)22-21-17)12-9-14(24-2)18(26-4)15(10-12)25-3/h5-10H,1-4H3,(H3,20,21,22).
What are the key properties of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine?
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 355.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 53329390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).