1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine

C15H25N5 — CID 106570045

IUPAC1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine
SMILESCCCCn1cc(C)nc1NCCCc1cn[nH]c1C
InChIInChI=1S/C15H25N5/c1-4-5-9-20-11-12(2)18-15(20)16-8-6-7-14-10-17-19-13(14)3/h10-11H,4-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyDQQJCGOCWNSCLV-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.07
Rot. Bonds8

About 1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine

1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine (PubChem CID 106570045) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine
PubChem CID106570045
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine
SMILESCCCCn1cc(C)nc1NCCCc1cn[nH]c1C
InChIInChI=1S/C15H25N5/c1-4-5-9-20-11-12(2)18-15(20)16-8-6-7-14-10-17-19-13(14)3/h10-11H,4-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyDQQJCGOCWNSCLV-UHFFFAOYSA-N
XLogP3.07
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine?
The IUPAC name of 1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine (CID 106570045) is 1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine.
What is the SMILES notation for 1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine?
The canonical SMILES for 1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine is CCCCn1cc(C)nc1NCCCc1cn[nH]c1C.
What is the InChIKey of 1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine?
The InChIKey is DQQJCGOCWNSCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-4-5-9-20-11-12(2)18-15(20)16-8-6-7-14-10-17-19-13(14)3/h10-11H,4-9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine?
1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine has a molecular weight of 275.40 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]imidazol-2-amine is sourced from PubChem (CID 106570045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).