5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C15H21ClN4 — CID 66029491

IUPAC5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCCc2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H21ClN4/c1-10(2)20-15(14(17)11(3)19-20)18-9-8-12-4-6-13(16)7-5-12/h4-7,10,18H,8-9,17H2,1-3H3
InChIKeyXIBZAWINRZWLHI-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.66
Rot. Bonds5

About 5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66029491) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66029491
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCCc2ccc(Cl)cc2)c1N
InChIInChI=1S/C15H21ClN4/c1-10(2)20-15(14(17)11(3)19-20)18-9-8-12-4-6-13(16)7-5-12/h4-7,10,18H,8-9,17H2,1-3H3
InChIKeyXIBZAWINRZWLHI-UHFFFAOYSA-N
XLogP3.66
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 106037255
5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029512
5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027142
5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029264
3-methyl-5-N-(3-methylsulfinylpropyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 113487227
5-N-[2-(azepan-1-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027942
5-N-(2-bromo-5-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 81262048
4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-1-methoxybutan-2-ol
CID 106243516
5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 114536241
3-methyl-5-N-(2-methylprop-2-enyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 114615272
5-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028755
N-[2-(4-chlorophenyl)ethyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 2807341

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66029491) is 5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is Cc1nn(C(C)C)c(NCCc2ccc(Cl)cc2)c1N.
What is the InChIKey of 5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is XIBZAWINRZWLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-10(2)20-15(14(17)11(3)19-20)18-9-8-12-4-6-13(16)7-5-12/h4-7,10,18H,8-9,17H2,1-3H3.
What are the key properties of 5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 292.81 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66029491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).