4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine

C19H21N3O2 — CID 743125

IUPAC4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine
SMILESCCc1nn(-c2ccccc2)c(N)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21N3O2/c1-4-15-18(13-10-11-16(23-2)17(12-13)24-3)19(20)22(21-15)14-8-6-5-7-9-14/h5-12H,4,20H2,1-3H3
InChIKeyKSCFSLBDPHWYNF-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.70
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine

4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine (PubChem CID 743125) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine
PubChem CID743125
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine
SMILESCCc1nn(-c2ccccc2)c(N)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21N3O2/c1-4-15-18(13-10-11-16(23-2)17(12-13)24-3)19(20)22(21-15)14-8-6-5-7-9-14/h5-12H,4,20H2,1-3H3
InChIKeyKSCFSLBDPHWYNF-UHFFFAOYSA-N
XLogP3.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine (CID 743125) is 4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine is CCc1nn(-c2ccccc2)c(N)c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine?
The InChIKey is KSCFSLBDPHWYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-4-15-18(13-10-11-16(23-2)17(12-13)24-3)19(20)22(21-15)14-8-6-5-7-9-14/h5-12H,4,20H2,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine?
4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine has a molecular weight of 323.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-ethyl-1-phenylpyrazol-5-amine is sourced from PubChem (CID 743125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).