N-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C19H18ClN3O — CID 45483507

IUPACN-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1ccc2c(c1)Cc1c(NCc3c(C)cccc3Cl)n[nH]c1-2
InChIInChI=1S/C19H18ClN3O/c1-11-4-3-5-17(20)16(11)10-21-19-15-9-12-8-13(24-2)6-7-14(12)18(15)22-23-19/h3-8H,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyYBHXGTDKMLACQI-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.56
Rot. Bonds4

About N-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

N-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 45483507) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID45483507
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1ccc2c(c1)Cc1c(NCc3c(C)cccc3Cl)n[nH]c1-2
InChIInChI=1S/C19H18ClN3O/c1-11-4-3-5-17(20)16(11)10-21-19-15-9-12-8-13(24-2)6-7-14(12)18(15)22-23-19/h3-8H,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyYBHXGTDKMLACQI-UHFFFAOYSA-N
XLogP4.56
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of N-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 45483507) is N-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for N-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for N-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1ccc2c(c1)Cc1c(NCc3c(C)cccc3Cl)n[nH]c1-2.
What is the InChIKey of N-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is YBHXGTDKMLACQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-11-4-3-5-17(20)16(11)10-21-19-15-9-12-8-13(24-2)6-7-14(12)18(15)22-23-19/h3-8H,9-10H2,1-2H3,(H2,21,22,23).
What are the key properties of N-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
N-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 339.83 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylphenyl)methyl]-6-methoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 45483507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).