N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine

C12H17N5 — CID 106937408

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine
SMILESC=Cn1cc(CNCCCc2ncc[nH]2)cn1
InChIInChI=1S/C12H17N5/c1-2-17-10-11(9-16-17)8-13-5-3-4-12-14-6-7-15-12/h2,6-7,9-10,13H,1,3-5,8H2,(H,14,15)
InChIKeyGTMYAHUVAAQEQP-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.43
Rot. Bonds7

About N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine

N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine (PubChem CID 106937408) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine
PubChem CID106937408
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine
SMILESC=Cn1cc(CNCCCc2ncc[nH]2)cn1
InChIInChI=1S/C12H17N5/c1-2-17-10-11(9-16-17)8-13-5-3-4-12-14-6-7-15-12/h2,6-7,9-10,13H,1,3-5,8H2,(H,14,15)
InChIKeyGTMYAHUVAAQEQP-UHFFFAOYSA-N
XLogP1.43
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-ethenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107302920
4-[(1-ethenylpyrazol-4-yl)methylamino]butanoic acid
CID 106936422
N-[(1-ethenylpyrazol-4-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 106937156
N-[(1-ethenylpyrazol-4-yl)methyl]-5-methoxypentan-1-amine
CID 107094675
3-cyclopentyl-N-[(1-ethenylpyrazol-4-yl)methyl]propan-1-amine
CID 107094620
2-(4-chlorophenyl)-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 106935437
N-[(1-ethenylpyrazol-4-yl)methyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 106936815
N-[(1-ethenylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 106935533
3-(1H-imidazol-2-yl)-N-(1H-indol-5-ylmethyl)propan-1-amine
CID 102912104
3-(1H-imidazol-2-yl)-N-[(1-methylindol-3-yl)methyl]propan-1-amine
CID 107236269
N-[(1-ethenylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine
CID 106937288
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine (CID 106937408) is N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine is C=Cn1cc(CNCCCc2ncc[nH]2)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine?
The InChIKey is GTMYAHUVAAQEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-17-10-11(9-16-17)8-13-5-3-4-12-14-6-7-15-12/h2,6-7,9-10,13H,1,3-5,8H2,(H,14,15).
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine?
N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-3-(1H-imidazol-2-yl)propan-1-amine is sourced from PubChem (CID 106937408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).