3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine

C16H19N5 — CID 79178658

IUPAC3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1cnc(C)n1-c1ccccc1
InChIInChI=1S/C16H19N5/c1-11-16(12(2)20-19-11)18-10-15-9-17-13(3)21(15)14-7-5-4-6-8-14/h4-9,18H,10H2,1-3H3,(H,19,20)
InChIKeyPRGFSKKESYWVCL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.13
Rot. Bonds4

About 3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine

3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine (PubChem CID 79178658) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine
PubChem CID79178658
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1cnc(C)n1-c1ccccc1
InChIInChI=1S/C16H19N5/c1-11-16(12(2)20-19-11)18-10-15-9-17-13(3)21(15)14-7-5-4-6-8-14/h4-9,18H,10H2,1-3H3,(H,19,20)
InChIKeyPRGFSKKESYWVCL-UHFFFAOYSA-N
XLogP3.13
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine (CID 79178658) is 3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NCc1cnc(C)n1-c1ccccc1.
What is the InChIKey of 3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine?
The InChIKey is PRGFSKKESYWVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-16(12(2)20-19-11)18-10-15-9-17-13(3)21(15)14-7-5-4-6-8-14/h4-9,18H,10H2,1-3H3,(H,19,20).
What are the key properties of 3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine?
3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine has a molecular weight of 281.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 79178658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).