1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine

C13H21N5 — CID 103015060

IUPAC1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nccn1CCc1cnn(C)c1
InChIInChI=1S/C13H21N5/c1-3-12(14)8-13-15-5-7-18(13)6-4-11-9-16-17(2)10-11/h5,7,9-10,12H,3-4,6,8,14H2,1-2H3
InChIKeyFADSJLGUSXYNQH-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.14
Rot. Bonds6

About 1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine

1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine (PubChem CID 103015060) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine
PubChem CID103015060
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nccn1CCc1cnn(C)c1
InChIInChI=1S/C13H21N5/c1-3-12(14)8-13-15-5-7-18(13)6-4-11-9-16-17(2)10-11/h5,7,9-10,12H,3-4,6,8,14H2,1-2H3
InChIKeyFADSJLGUSXYNQH-UHFFFAOYSA-N
XLogP1.14
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-decylimidazol-2-yl)butan-2-amine
CID 63095303
1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine
CID 55235170
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde
CID 103005379
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbothioamide
CID 103015046
1-[1-(2,2-difluoroethyl)imidazol-2-yl]butan-2-amine
CID 82009899
1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721377
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]sulfanylacetic acid
CID 80688800
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
CID 79751948
1-[2-bromo-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]butan-2-amine
CID 103013194
1-[(1-methylpyrazol-4-yl)methylsulfanyl]butan-2-amine
CID 66231493
1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
CID 154819420

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine?
The IUPAC name of 1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine (CID 103015060) is 1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine is CCC(N)Cc1nccn1CCc1cnn(C)c1.
What is the InChIKey of 1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine?
The InChIKey is FADSJLGUSXYNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-12(14)8-13-15-5-7-18(13)6-4-11-9-16-17(2)10-11/h5,7,9-10,12H,3-4,6,8,14H2,1-2H3.
What are the key properties of 1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine?
1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine has a molecular weight of 247.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine is sourced from PubChem (CID 103015060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).