4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane

C15H23N5 — CID 107174374

IUPAC4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane
SMILESCCCn1cc(-c2cncn2C2CCCNCC2)cn1
InChIInChI=1S/C15H23N5/c1-2-8-19-11-13(9-18-19)15-10-17-12-20(15)14-4-3-6-16-7-5-14/h9-12,14,16H,2-8H2,1H3
InChIKeyBTMOFMWRAGRELJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.47
Rot. Bonds4

About 4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane

4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane (PubChem CID 107174374) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane.

Molecular Properties

Compound Name4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane
PubChem CID107174374
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane
SMILESCCCn1cc(-c2cncn2C2CCCNCC2)cn1
InChIInChI=1S/C15H23N5/c1-2-8-19-11-13(9-18-19)15-10-17-12-20(15)14-4-3-6-16-7-5-14/h9-12,14,16H,2-8H2,1H3
InChIKeyBTMOFMWRAGRELJ-UHFFFAOYSA-N
XLogP2.47
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]ethyl]piperidine
CID 103573754
4-(1-propylpyrazol-4-yl)azepane
CID 83261378
4-[[5-(1-ethylpyrazol-4-yl)imidazol-1-yl]methyl]piperidine
CID 103571159
4-[5-(2-methylpropyl)imidazol-1-yl]azepane
CID 107174388
2-(piperidin-3-ylmethyl)-3-(1-propylpyrazol-4-yl)pyrazine
CID 110102127
4-[5-(3-bromophenyl)imidazol-1-yl]piperidine
CID 84739493
2-[[(3R)-piperidin-3-yl]methyl]-5-(1-propylpyrazol-4-yl)pyrazine
CID 124968977
1-[(4S)-4-methoxypyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)imidazole
CID 104874875
4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114719132
3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride
CID 164576503
N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
CID 103572294
1-propyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 103573721

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane?
The IUPAC name of 4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane (CID 107174374) is 4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane.
What is the SMILES notation for 4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane?
The canonical SMILES for 4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane is CCCn1cc(-c2cncn2C2CCCNCC2)cn1.
What is the InChIKey of 4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane?
The InChIKey is BTMOFMWRAGRELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-2-8-19-11-13(9-18-19)15-10-17-12-20(15)14-4-3-6-16-7-5-14/h9-12,14,16H,2-8H2,1H3.
What are the key properties of 4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane?
4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane has a molecular weight of 273.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]azepane is sourced from PubChem (CID 107174374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).