N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine

C14H22ClN5 — CID 103005187

IUPACN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCCCCc1nc(Cl)c(CNCCc2ccnn2C)[nH]1
InChIInChI=1S/C14H22ClN5/c1-3-4-5-13-18-12(14(15)19-13)10-16-8-6-11-7-9-17-20(11)2/h7,9,16H,3-6,8,10H2,1-2H3,(H,18,19)
InChIKeyMALBRXUCEZQEON-UHFFFAOYSA-N
MW295.82 g/mol
LogP2.47
Rot. Bonds8

About N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine

N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 103005187) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
PubChem CID103005187
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC NameN-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCCCCc1nc(Cl)c(CNCCc2ccnn2C)[nH]1
InChIInChI=1S/C14H22ClN5/c1-3-4-5-13-18-12(14(15)19-13)10-16-8-6-11-7-9-17-20(11)2/h7,9,16H,3-6,8,10H2,1-2H3,(H,18,19)
InChIKeyMALBRXUCEZQEON-UHFFFAOYSA-N
XLogP2.47
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 52.47
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

N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79756670
N-[(2-chloro-4-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106863335
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 107095487
3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-N-propan-2-ylpropanamide
CID 115674392
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000858
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694498
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 113442257
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104879651
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106844750
4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
3-[[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107272296

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine (CID 103005187) is N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine is CCCCc1nc(Cl)c(CNCCc2ccnn2C)[nH]1.
What is the InChIKey of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is MALBRXUCEZQEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN5/c1-3-4-5-13-18-12(14(15)19-13)10-16-8-6-11-7-9-17-20(11)2/h7,9,16H,3-6,8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 295.82 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 103005187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).