4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline

C16H23N3 — CID 81289798

IUPAC4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline
SMILESCCCn1nc(C)c(-c2ccc(N)c(CC)c2)c1C
InChIInChI=1S/C16H23N3/c1-5-9-19-12(4)16(11(3)18-19)14-7-8-15(17)13(6-2)10-14/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyPDFSVAWXCRDCBM-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.72
Rot. Bonds4

About 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline

4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline (PubChem CID 81289798) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline.

Molecular Properties

Compound Name4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline
PubChem CID81289798
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline
SMILESCCCn1nc(C)c(-c2ccc(N)c(CC)c2)c1C
InChIInChI=1S/C16H23N3/c1-5-9-19-12(4)16(11(3)18-19)14-7-8-15(17)13(6-2)10-14/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyPDFSVAWXCRDCBM-UHFFFAOYSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

AS-19
CID 23642275
Difenzoquat
CID 39425
3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
E-55888
CID 24825775
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 5303281
[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 4961800
2-ethyl-3-phenyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 24873261
3-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 24873384
3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole
CID 573288
4-(1-Methyl-1H-pyrazol-3-yl)-phenylamine
CID 18526375
2,3-dimethyl-2H-indazol-6-amine
CID 11542827

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline?
The IUPAC name of 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline (CID 81289798) is 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline.
What is the SMILES notation for 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline?
The canonical SMILES for 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline is CCCn1nc(C)c(-c2ccc(N)c(CC)c2)c1C.
What is the InChIKey of 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline?
The InChIKey is PDFSVAWXCRDCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-9-19-12(4)16(11(3)18-19)14-7-8-15(17)13(6-2)10-14/h7-8,10H,5-6,9,17H2,1-4H3.
What are the key properties of 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline?
4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline has a molecular weight of 257.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1-propylpyrazol-4-yl)-2-ethylaniline is sourced from PubChem (CID 81289798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).