3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine

C11H17N5 — CID 114704124

IUPAC3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1-c1cn[nH]c1
InChIInChI=1S/C11H17N5/c1-8(2)3-10(12)11-6-13-7-16(11)9-4-14-15-5-9/h4-8,10H,3,12H2,1-2H3,(H,14,15)
InChIKeyOIRLRRLFMNIGAS-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.64
Rot. Bonds4

About 3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine

3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine (PubChem CID 114704124) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine
PubChem CID114704124
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1-c1cn[nH]c1
InChIInChI=1S/C11H17N5/c1-8(2)3-10(12)11-6-13-7-16(11)9-4-14-15-5-9/h4-8,10H,3,12H2,1-2H3,(H,14,15)
InChIKeyOIRLRRLFMNIGAS-UHFFFAOYSA-N
XLogP1.64
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine (CID 114704124) is 3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine is CC(C)CC(N)c1cncn1-c1cn[nH]c1.
What is the InChIKey of 3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine?
The InChIKey is OIRLRRLFMNIGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8(2)3-10(12)11-6-13-7-16(11)9-4-14-15-5-9/h4-8,10H,3,12H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine?
3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(1H-pyrazol-4-yl)imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 114704124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).