N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine

C19H23N5 — CID 166245754

IUPACN-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine
SMILESCc1nccn1Cc1cccc(CNC2CCCc3cn[nH]c32)c1
InChIInChI=1S/C19H23N5/c1-14-20-8-9-24(14)13-16-5-2-4-15(10-16)11-21-18-7-3-6-17-12-22-23-19(17)18/h2,4-5,8-10,12,18,21H,3,6-7,11,13H2,1H3,(H,22,23)
InChIKeyQBXVIROTKCYNPE-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.13
Rot. Bonds5

About N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine

N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine (PubChem CID 166245754) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine
PubChem CID166245754
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC NameN-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine
SMILESCc1nccn1Cc1cccc(CNC2CCCc3cn[nH]c32)c1
InChIInChI=1S/C19H23N5/c1-14-20-8-9-24(14)13-16-5-2-4-15(10-16)11-21-18-7-3-6-17-12-22-23-19(17)18/h2,4-5,8-10,12,18,21H,3,6-7,11,13H2,1H3,(H,22,23)
InChIKeyQBXVIROTKCYNPE-UHFFFAOYSA-N
XLogP3.13
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine?
The IUPAC name of N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine (CID 166245754) is N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine.
What is the SMILES notation for N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine?
The canonical SMILES for N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine is Cc1nccn1Cc1cccc(CNC2CCCc3cn[nH]c32)c1.
What is the InChIKey of N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine?
The InChIKey is QBXVIROTKCYNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-14-20-8-9-24(14)13-16-5-2-4-15(10-16)11-21-18-7-3-6-17-12-22-23-19(17)18/h2,4-5,8-10,12,18,21H,3,6-7,11,13H2,1H3,(H,22,23).
What are the key properties of N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine?
N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine has a molecular weight of 321.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazol-7-amine is sourced from PubChem (CID 166245754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).