4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine

C11H15N5 — CID 106568790

IUPAC4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine
SMILESC=CCn1cc(C)nc1NCc1cn[nH]c1
InChIInChI=1S/C11H15N5/c1-3-4-16-8-9(2)15-11(16)12-5-10-6-13-14-7-10/h3,6-8H,1,4-5H2,2H3,(H,12,15)(H,13,14)
InChIKeyVGIOIBSFBNGION-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.71
Rot. Bonds5

About 4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine

4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine (PubChem CID 106568790) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine
PubChem CID106568790
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine
SMILESC=CCn1cc(C)nc1NCc1cn[nH]c1
InChIInChI=1S/C11H15N5/c1-3-4-16-8-9(2)15-11(16)12-5-10-6-13-14-7-10/h3,6-8H,1,4-5H2,2H3,(H,12,15)(H,13,14)
InChIKeyVGIOIBSFBNGION-UHFFFAOYSA-N
XLogP1.71
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106569972
4-methyl-N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine
CID 106571379
4-methyl-1-prop-2-enyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576478
2-N,2-N-dimethyl-1-N-(4-methyl-1-prop-2-enylimidazol-2-yl)propane-1,2-diamine
CID 106566233
4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine
CID 106554780
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106567076
N'-ethyl-N'-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)ethane-1,2-diamine
CID 106570425
N-(2-imidazol-1-ylethyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106569292
5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine
CID 107587294
1-ethyl-4-methyl-N-(1H-pyrazol-4-yl)imidazol-2-amine
CID 106562338
4-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 62958563
4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine
CID 106581460

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine (CID 106568790) is 4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine is C=CCn1cc(C)nc1NCc1cn[nH]c1.
What is the InChIKey of 4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine?
The InChIKey is VGIOIBSFBNGION-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-3-4-16-8-9(2)15-11(16)12-5-10-6-13-14-7-10/h3,6-8H,1,4-5H2,2H3,(H,12,15)(H,13,14).
What are the key properties of 4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine?
4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine has a molecular weight of 217.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-prop-2-enyl-N-(1H-pyrazol-4-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106568790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).