4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline

C15H17N5 — CID 103002374

IUPAC4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline
SMILESCn1nccc1CCn1ccnc1-c1ccc(N)cc1
InChIInChI=1S/C15H17N5/c1-19-14(6-8-18-19)7-10-20-11-9-17-15(20)12-2-4-13(16)5-3-12/h2-6,8-9,11H,7,10,16H2,1H3
InChIKeyIYRAIXGBWWKFTA-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.11
Rot. Bonds4

About 4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline

4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline (PubChem CID 103002374) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline.

Molecular Properties

Compound Name4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline
PubChem CID103002374
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline
SMILESCn1nccc1CCn1ccnc1-c1ccc(N)cc1
InChIInChI=1S/C15H17N5/c1-19-14(6-8-18-19)7-10-20-11-9-17-15(20)12-2-4-13(16)5-3-12/h2-6,8-9,11H,7,10,16H2,1H3
InChIKeyIYRAIXGBWWKFTA-UHFFFAOYSA-N
XLogP2.11
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
2,4-Disubstituted Pyrimidine 2c
CID 5329416
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
N-{4-[(diethylamino)methyl]phenyl}-4-{pyrazolo[1,5-b]pyridazin-3-yl}pyrimidin-2-amine
CID 10215776
N,3-dimethyl-11-phenyl-1,3,5,8,12-pentaazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-7-amine
CID 25263282
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 44537944
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
Pmid25719566C7
CID 91827353
2-Amino-3-methyl-6-[(1-methylpyrazol-4-yl)methyl]benzimidazole-4-carbonitrile
CID 165416401
2-Amino-3-methyl-6-[(1-methylpyrazol-3-yl)methyl]benzimidazole-4-carbonitrile
CID 165416405
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline?
The IUPAC name of 4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline (CID 103002374) is 4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline.
What is the SMILES notation for 4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline?
The canonical SMILES for 4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline is Cn1nccc1CCn1ccnc1-c1ccc(N)cc1.
What is the InChIKey of 4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline?
The InChIKey is IYRAIXGBWWKFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-19-14(6-8-18-19)7-10-20-11-9-17-15(20)12-2-4-13(16)5-3-12/h2-6,8-9,11H,7,10,16H2,1H3.
What are the key properties of 4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline?
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline has a molecular weight of 267.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-yl]aniline is sourced from PubChem (CID 103002374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).