6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine

C17H19N5 — CID 155505818

IUPAC6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine
SMILESc1ccc(-c2n[nH]c3c2CCN(Cc2cnc[nH]2)CC3)cc1
InChIInChI=1S/C17H19N5/c1-2-4-13(5-3-1)17-15-6-8-22(9-7-16(15)20-21-17)11-14-10-18-12-19-14/h1-5,10,12H,6-9,11H2,(H,18,19)(H,20,21)
InChIKeyIUHADXOIZYLQMI-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.40
Rot. Bonds3

About 6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine

6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine (PubChem CID 155505818) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine.

Molecular Properties

Compound Name6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine
PubChem CID155505818
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine
SMILESc1ccc(-c2n[nH]c3c2CCN(Cc2cnc[nH]2)CC3)cc1
InChIInChI=1S/C17H19N5/c1-2-4-13(5-3-1)17-15-6-8-22(9-7-16(15)20-21-17)11-14-10-18-12-19-14/h1-5,10,12H,6-9,11H2,(H,18,19)(H,20,21)
InChIKeyIUHADXOIZYLQMI-UHFFFAOYSA-N
XLogP2.40
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine with MolForge

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Related Compounds

(2S)-2-amino-3-(1H-imidazol-5-yl)-1-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)propan-1-one
CID 154570954
4-[2-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)ethyl]morpholine
CID 154568126
6-[(2,6-dimethoxyphenyl)methyl]-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine
CID 154564718
6-[[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 56749783
6-(3-imidazol-1-ylpropyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine
CID 155492074
3-(methoxymethyl)-5-[(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-1,2,4-oxadiazole
CID 154571853
trans-(1S,3S)-3-[(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]cyclohexan-1-amine
CID 154569415
1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
CID 71447015
6-(oxan-3-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine
CID 154569743
4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine
CID 141030931
2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]acetamide
CID 56745125
1-(1H-imidazol-5-ylmethyl)-4-(3-phenylpropyl)-1,4-diazepane
CID 56917910

Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine?
The IUPAC name of 6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine (CID 155505818) is 6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine.
What is the SMILES notation for 6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine?
The canonical SMILES for 6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine is c1ccc(-c2n[nH]c3c2CCN(Cc2cnc[nH]2)CC3)cc1.
What is the InChIKey of 6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine?
The InChIKey is IUHADXOIZYLQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-4-13(5-3-1)17-15-6-8-22(9-7-16(15)20-21-17)11-14-10-18-12-19-14/h1-5,10,12H,6-9,11H2,(H,18,19)(H,20,21).
What are the key properties of 6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine?
6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine has a molecular weight of 293.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-5-ylmethyl)-3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine is sourced from PubChem (CID 155505818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).