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

C13H18N4 — CID 114262562

IUPAC2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine
SMILESCC(C)c1nn(C)cc1Nc1ccccc1N
InChIInChI=1S/C13H18N4/c1-9(2)13-12(8-17(3)16-13)15-11-7-5-4-6-10(11)14/h4-9,15H,14H2,1-3H3
InChIKeyVIZXLQUGZACSFO-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.87
Rot. Bonds3

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

2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine (PubChem CID 114262562) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine
PubChem CID114262562
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine
SMILESCC(C)c1nn(C)cc1Nc1ccccc1N
InChIInChI=1S/C13H18N4/c1-9(2)13-12(8-17(3)16-13)15-11-7-5-4-6-10(11)14/h4-9,15H,14H2,1-3H3
InChIKeyVIZXLQUGZACSFO-UHFFFAOYSA-N
XLogP2.87
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.87
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

6-methyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 114263278
5-bromo-2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2,3-diamine
CID 114262574
5-methyl-3-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,3-diamine
CID 114262572
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)propane-1,2-diamine
CID 130500065
1-methyl-3-propan-2-yl-N-(1-pyridin-2-ylethyl)pyrazol-4-amine
CID 114094624
1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine
CID 114094591
2-N-(1-methyltetrazol-5-yl)benzene-1,2-diamine
CID 19970907
N-but-3-en-2-yl-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 130500093
5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 114262897
5-chloro-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 114094517
2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 43757861

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine (CID 114262562) is 2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine is CC(C)c1nn(C)cc1Nc1ccccc1N.
What is the InChIKey of 2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine?
The InChIKey is VIZXLQUGZACSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)13-12(8-17(3)16-13)15-11-7-5-4-6-10(11)14/h4-9,15H,14H2,1-3H3.
What are the key properties of 2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine?
2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 114262562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).