5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine

C14H20N4 — CID 114262572

IUPAC5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine
SMILESCc1cc(N)cc(Nc2cn(C)nc2C(C)C)c1
InChIInChI=1S/C14H20N4/c1-9(2)14-13(8-18(4)17-14)16-12-6-10(3)5-11(15)7-12/h5-9,16H,15H2,1-4H3
InChIKeyBLTXTZRAHDNHLN-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.18
Rot. Bonds3

About 5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine

5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine (PubChem CID 114262572) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine
PubChem CID114262572
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine
SMILESCc1cc(N)cc(Nc2cn(C)nc2C(C)C)c1
InChIInChI=1S/C14H20N4/c1-9(2)14-13(8-18(4)17-14)16-12-6-10(3)5-11(15)7-12/h5-9,16H,15H2,1-4H3
InChIKeyBLTXTZRAHDNHLN-UHFFFAOYSA-N
XLogP3.18
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 114094516
2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine
CID 114262562
5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine
CID 114262574
5-bromo-4-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 114263243
6-methoxy-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 114263271
6-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 114263278
2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propane-1,2-diamine
CID 130500065
3-N-(5-chloro-2-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112647073
3-N-(2-bromo-5-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112648174
3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721970
4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine
CID 106751256
5-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103823917

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine?
The IUPAC name of 5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine (CID 114262572) is 5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine?
The canonical SMILES for 5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine is Cc1cc(N)cc(Nc2cn(C)nc2C(C)C)c1.
What is the InChIKey of 5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine?
The InChIKey is BLTXTZRAHDNHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9(2)14-13(8-18(4)17-14)16-12-6-10(3)5-11(15)7-12/h5-9,16H,15H2,1-4H3.
What are the key properties of 5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine?
5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine is sourced from PubChem (CID 114262572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).