4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine

C19H16ClN5 — CID 68857470

IUPAC4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine
SMILESCc1cc(Nc2nc(N)c3ccccc3c2-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C19H16ClN5/c1-11-9-16(25-24-11)22-19-17(12-5-4-6-13(20)10-12)14-7-2-3-8-15(14)18(21)23-19/h2-10H,1H3,(H4,21,22,23,24,25)
InChIKeyLNPVNLXNJIKEPV-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.91
Rot. Bonds3

About 4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine

4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine (PubChem CID 68857470) has the molecular formula C19H16ClN5 and a molecular weight of 349.83 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine
PubChem CID68857470
Molecular FormulaC19H16ClN5
Molecular Weight349.83 g/mol
Exact Mass349.11
IUPAC Name4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine
SMILESCc1cc(Nc2nc(N)c3ccccc3c2-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C19H16ClN5/c1-11-9-16(25-24-11)22-19-17(12-5-4-6-13(20)10-12)14-7-2-3-8-15(14)18(21)23-19/h2-10H,1H3,(H4,21,22,23,24,25)
InChIKeyLNPVNLXNJIKEPV-UHFFFAOYSA-N
XLogP4.91
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine?
The IUPAC name of 4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine (CID 68857470) is 4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine.
What is the SMILES notation for 4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine?
The canonical SMILES for 4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine is Cc1cc(Nc2nc(N)c3ccccc3c2-c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of 4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine?
The InChIKey is LNPVNLXNJIKEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5/c1-11-9-16(25-24-11)22-19-17(12-5-4-6-13(20)10-12)14-7-2-3-8-15(14)18(21)23-19/h2-10H,1H3,(H4,21,22,23,24,25).
What are the key properties of 4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine?
4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine has a molecular weight of 349.83 g/mol, XLogP of 4.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine is sourced from PubChem (CID 68857470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).