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

C16H19N5 — CID 104954415

IUPAC1,3-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NCc1cnc(C)n1-c1ccccc1
InChIInChI=1S/C16H19N5/c1-12-16(11-20(3)19-12)18-10-15-9-17-13(2)21(15)14-7-5-4-6-8-14/h4-9,11,18H,10H2,1-3H3
InChIKeyKIRCBMOTWPKRLU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.83
Rot. Bonds4

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

1,3-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine (PubChem CID 104954415) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine
PubChem CID104954415
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1,3-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NCc1cnc(C)n1-c1ccccc1
InChIInChI=1S/C16H19N5/c1-12-16(11-20(3)19-12)18-10-15-9-17-13(2)21(15)14-7-5-4-6-8-14/h4-9,11,18H,10H2,1-3H3
InChIKeyKIRCBMOTWPKRLU-UHFFFAOYSA-N
XLogP2.83
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine (CID 104954415) is 1,3-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine is Cc1nn(C)cc1NCc1cnc(C)n1-c1ccccc1.
What is the InChIKey of 1,3-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine?
The InChIKey is KIRCBMOTWPKRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12-16(11-20(3)19-12)18-10-15-9-17-13(2)21(15)14-7-5-4-6-8-14/h4-9,11,18H,10H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine?
1,3-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine has a molecular weight of 281.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 104954415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).