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

C14H15N5 — CID 82866200

IUPAC3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline
SMILESCn1ccc(Cn2ccnc2-c2cccc(N)c2)n1
InChIInChI=1S/C14H15N5/c1-18-7-5-13(17-18)10-19-8-6-16-14(19)11-3-2-4-12(15)9-11/h2-9H,10,15H2,1H3
InChIKeyJBMQNQSGTRETFU-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.91
Rot. Bonds3

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

3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline (PubChem CID 82866200) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline.

Molecular Properties

Compound Name3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline
PubChem CID82866200
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline
SMILESCn1ccc(Cn2ccnc2-c2cccc(N)c2)n1
InChIInChI=1S/C14H15N5/c1-18-7-5-13(17-18)10-19-8-6-16-14(19)11-3-2-4-12(15)9-11/h2-9H,10,15H2,1H3
InChIKeyJBMQNQSGTRETFU-UHFFFAOYSA-N
XLogP1.91
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.91
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

3-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]aniline
CID 107042816
3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline
CID 63985676
3-(1-butylimidazol-2-yl)aniline
CID 60813678
3-[1-[(4-iodophenyl)methyl]imidazol-2-yl]aniline
CID 65477799
3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
CID 60813843
3-[1-(3-methylsulfonylpropyl)imidazol-2-yl]aniline
CID 63191637
3-[1-[(2,4-difluorophenyl)methyl]imidazol-2-yl]aniline
CID 62197808
3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide
CID 60812856
3-[1-[3-(2-methoxyethoxy)propyl]imidazol-2-yl]aniline
CID 103409739
1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine
CID 82875518
3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559674
[3-(1-propylimidazol-2-yl)phenyl]methanamine
CID 63974354

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline?
The IUPAC name of 3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline (CID 82866200) is 3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline.
What is the SMILES notation for 3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline?
The canonical SMILES for 3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline is Cn1ccc(Cn2ccnc2-c2cccc(N)c2)n1.
What is the InChIKey of 3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline?
The InChIKey is JBMQNQSGTRETFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-18-7-5-13(17-18)10-19-8-6-16-14(19)11-3-2-4-12(15)9-11/h2-9H,10,15H2,1H3.
What are the key properties of 3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline?
3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline has a molecular weight of 253.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylpyrazol-3-yl)methyl]imidazol-2-yl]aniline is sourced from PubChem (CID 82866200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).