N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine

C14H23N5 — CID 106582984

IUPACN-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
SMILESCCCCNc1nc(C)cn1CCc1ccnn1C
InChIInChI=1S/C14H23N5/c1-4-5-8-15-14-17-12(2)11-19(14)10-7-13-6-9-16-18(13)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,15,17)
InChIKeyMBDOHBZSYNSLJP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.38
Rot. Bonds7

About N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine

N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine (PubChem CID 106582984) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
PubChem CID106582984
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
SMILESCCCCNc1nc(C)cn1CCc1ccnn1C
InChIInChI=1S/C14H23N5/c1-4-5-8-15-14-17-12(2)11-19(14)10-7-13-6-9-16-18(13)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,15,17)
InChIKeyMBDOHBZSYNSLJP-UHFFFAOYSA-N
XLogP2.38
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106582991
N-ethyl-4-methyl-1-[(2-methylpyrazol-3-yl)methyl]imidazol-2-amine
CID 106573703
N-cyclopentyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106582996
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
N-butyl-4-methyl-1-(3-methylbutyl)imidazol-2-amine
CID 106557291
N-cyclohexyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106583003
N-butyl-4-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]imidazol-2-amine
CID 106576454
4-methyl-N-propyl-1-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563289
N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine
CID 106563654
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
1-butyl-4-methyl-N-(3,3,3-trifluoropropyl)imidazol-2-amine
CID 106571611
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine?
The IUPAC name of N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine (CID 106582984) is N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine.
What is the SMILES notation for N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine?
The canonical SMILES for N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine is CCCCNc1nc(C)cn1CCc1ccnn1C.
What is the InChIKey of N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine?
The InChIKey is MBDOHBZSYNSLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-5-8-15-14-17-12(2)11-19(14)10-7-13-6-9-16-18(13)3/h6,9,11H,4-5,7-8,10H2,1-3H3,(H,15,17).
What are the key properties of N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine?
N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine is sourced from PubChem (CID 106582984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).