N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine

C16H19N5 — CID 106579501

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine
SMILESCCc1nn(C)cc1CNc1nccn1-c1ccccc1
InChIInChI=1S/C16H19N5/c1-3-15-13(12-20(2)19-15)11-18-16-17-9-10-21(16)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,17,18)
InChIKeyFCXJJTTWHIKZJY-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.78
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine (PubChem CID 106579501) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine
PubChem CID106579501
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine
SMILESCCc1nn(C)cc1CNc1nccn1-c1ccccc1
InChIInChI=1S/C16H19N5/c1-3-15-13(12-20(2)19-15)11-18-16-17-9-10-21(16)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,17,18)
InChIKeyFCXJJTTWHIKZJY-UHFFFAOYSA-N
XLogP2.78
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-methyl-N-(1-phenylimidazol-2-yl)pyrazol-4-amine
CID 107465410
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
CID 115990474
N-[(2,5-difluorophenyl)methyl]-1-phenylimidazol-2-amine
CID 106573221
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114599022
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 112549966
N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine
CID 106560530
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-phenoxyethanamine
CID 112549164
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 112549489
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylsulfanylaniline
CID 112549346
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
3-ethyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112549341
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,3-difluoroaniline
CID 112668970

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine (CID 106579501) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine is CCc1nn(C)cc1CNc1nccn1-c1ccccc1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine?
The InChIKey is FCXJJTTWHIKZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-15-13(12-20(2)19-15)11-18-16-17-9-10-21(16)14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine has a molecular weight of 281.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-phenylimidazol-2-amine is sourced from PubChem (CID 106579501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).