2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine

C12H16N4 — CID 4962253

IUPAC2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine
SMILESCN(C)c1ccc(Cn2nccc2N)cc1
InChIInChI=1S/C12H16N4/c1-15(2)11-5-3-10(4-6-11)9-16-12(13)7-8-14-16/h3-8H,9,13H2,1-2H3
InChIKeyNURZXYPEYWICFY-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.58
Rot. Bonds3

About 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine

2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine (PubChem CID 4962253) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine
PubChem CID4962253
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine
SMILESCN(C)c1ccc(Cn2nccc2N)cc1
InChIInChI=1S/C12H16N4/c1-15(2)11-5-3-10(4-6-11)9-16-12(13)7-8-14-16/h3-8H,9,13H2,1-2H3
InChIKeyNURZXYPEYWICFY-UHFFFAOYSA-N
XLogP1.58
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine?
The IUPAC name of 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine (CID 4962253) is 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine?
The canonical SMILES for 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine is CN(C)c1ccc(Cn2nccc2N)cc1.
What is the InChIKey of 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine?
The InChIKey is NURZXYPEYWICFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-15(2)11-5-3-10(4-6-11)9-16-12(13)7-8-14-16/h3-8H,9,13H2,1-2H3.
What are the key properties of 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine?
2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine has a molecular weight of 216.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-amine is sourced from PubChem (CID 4962253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).