1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine

C12H19N5 — CID 106568584

IUPAC1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine
SMILESCCCCn1ccnc1NCCn1cccn1
InChIInChI=1S/C12H19N5/c1-2-3-8-16-10-6-13-12(16)14-7-11-17-9-4-5-15-17/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,13,14)
InChIKeyADXPICITXXZJDX-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.99
Rot. Bonds7

About 1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine

1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine (PubChem CID 106568584) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine
PubChem CID106568584
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine
SMILESCCCCn1ccnc1NCCn1cccn1
InChIInChI=1S/C12H19N5/c1-2-3-8-16-10-6-13-12(16)14-7-11-17-9-4-5-15-17/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,13,14)
InChIKeyADXPICITXXZJDX-UHFFFAOYSA-N
XLogP1.99
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-1-hexylimidazol-2-amine
CID 106573794
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
N-hexyl-1-propylimidazol-2-amine
CID 106573792
N-tert-butyl-1-butylimidazol-2-amine
CID 106554804
1-butyl-N-[2-(3-methylphenyl)ethyl]imidazol-2-amine
CID 106569430
1-butyl-N-(2-methylbutyl)imidazol-2-amine
CID 106570370
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
CID 106581195
1-[4-(dimethylamino)butyl]-N-propylimidazol-2-amine
CID 106565580
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
1-ethyl-N-octylimidazol-2-amine
CID 115568972
1-dodecyl-N-methylimidazol-2-amine
CID 57016020

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine?
The IUPAC name of 1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine (CID 106568584) is 1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine?
The canonical SMILES for 1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine is CCCCn1ccnc1NCCn1cccn1.
What is the InChIKey of 1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine?
The InChIKey is ADXPICITXXZJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-2-3-8-16-10-6-13-12(16)14-7-11-17-9-4-5-15-17/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,13,14).
What are the key properties of 1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine?
1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine has a molecular weight of 233.32 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine is sourced from PubChem (CID 106568584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).