5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine

C15H22N4 — CID 43554301

IUPAC5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCCCCc1ccc(Nc2c(N)c(C)nn2C)cc1
InChIInChI=1S/C15H22N4/c1-4-5-6-12-7-9-13(10-8-12)17-15-14(16)11(2)18-19(15)3/h7-10,17H,4-6,16H2,1-3H3
InChIKeyYJRMWHHSRTUOAF-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.40
Rot. Bonds5

About 5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine

5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 43554301) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine
PubChem CID43554301
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCCCCc1ccc(Nc2c(N)c(C)nn2C)cc1
InChIInChI=1S/C15H22N4/c1-4-5-6-12-7-9-13(10-8-12)17-15-14(16)11(2)18-19(15)3/h7-10,17H,4-6,16H2,1-3H3
InChIKeyYJRMWHHSRTUOAF-UHFFFAOYSA-N
XLogP3.40
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine
CID 66013596
5-N-(4-fluorophenyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66018841
N-(4-butylphenyl)-1-methylimidazol-2-amine
CID 106561515
5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine
CID 54965215
5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027995
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027035
5-N-(1-benzothiophen-5-yl)-1,3-dimethylpyrazole-4,5-diamine
CID 65473488
2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile
CID 66013634
N-(4-butylphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895220
4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80780181
4-N-(4-butylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80779326

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine (CID 43554301) is 5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine is CCCCc1ccc(Nc2c(N)c(C)nn2C)cc1.
What is the InChIKey of 5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is YJRMWHHSRTUOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-5-6-12-7-9-13(10-8-12)17-15-14(16)11(2)18-19(15)3/h7-10,17H,4-6,16H2,1-3H3.
What are the key properties of 5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine?
5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-butylphenyl)-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 43554301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).