1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine

C16H23N5 — CID 66011298

IUPAC1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H23N5/c1-3-21-16(15(17)12(2)19-21)18-13-6-8-14(9-7-13)20-10-4-5-11-20/h6-9,18H,3-5,10-11,17H2,1-2H3
InChIKeyATVHEFQJJNJIPS-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.14
Rot. Bonds4

About 1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine

1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine (PubChem CID 66011298) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine
PubChem CID66011298
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H23N5/c1-3-21-16(15(17)12(2)19-21)18-13-6-8-14(9-7-13)20-10-4-5-11-20/h6-9,18H,3-5,10-11,17H2,1-2H3
InChIKeyATVHEFQJJNJIPS-UHFFFAOYSA-N
XLogP3.14
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012411
2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile
CID 66013634
1-ethyl-3-methyl-5-piperidin-1-ylpyrazol-4-amine
CID 66012579
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile
CID 66012800
5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027995
6-(4-ethylpiperazin-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112870948
2-N-[4-(4-ethylpiperazin-1-yl)phenyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 91527858
1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine
CID 66012854
5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028825
4-N-ethyl-6-methyl-4-N-phenyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928803
1-ethyl-5-N-[2-(2-methoxyethyl)phenyl]-3-methylpyrazole-4,5-diamine
CID 102903455
6-hydrazinyl-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80907284

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine (CID 66011298) is 1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine?
The InChIKey is ATVHEFQJJNJIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-21-16(15(17)12(2)19-21)18-13-6-8-14(9-7-13)20-10-4-5-11-20/h6-9,18H,3-5,10-11,17H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine has a molecular weight of 285.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66011298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).