4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine

C19H18ClFN4 — CID 122640610

IUPAC4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine
SMILESCc1c(F)cccc1-n1ncc(CN2CCc3cc(Cl)ccc32)c1N
InChIInChI=1S/C19H18ClFN4/c1-12-16(21)3-2-4-17(12)25-19(22)14(10-23-25)11-24-8-7-13-9-15(20)5-6-18(13)24/h2-6,9-10H,7-8,11,22H2,1H3
InChIKeyLTSQHLTWOYSZBC-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.12
Rot. Bonds3

About 4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine

4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine (PubChem CID 122640610) has the molecular formula C19H18ClFN4 and a molecular weight of 356.83 g/mol. Its IUPAC name is 4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine
PubChem CID122640610
Molecular FormulaC19H18ClFN4
Molecular Weight356.83 g/mol
Exact Mass356.12
IUPAC Name4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine
SMILESCc1c(F)cccc1-n1ncc(CN2CCc3cc(Cl)ccc32)c1N
InChIInChI=1S/C19H18ClFN4/c1-12-16(21)3-2-4-17(12)25-19(22)14(10-23-25)11-24-8-7-13-9-15(20)5-6-18(13)24/h2-6,9-10H,7-8,11,22H2,1H3
InChIKeyLTSQHLTWOYSZBC-UHFFFAOYSA-N
XLogP4.12
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine?
The IUPAC name of 4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine (CID 122640610) is 4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine is Cc1c(F)cccc1-n1ncc(CN2CCc3cc(Cl)ccc32)c1N.
What is the InChIKey of 4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine?
The InChIKey is LTSQHLTWOYSZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4/c1-12-16(21)3-2-4-17(12)25-19(22)14(10-23-25)11-24-8-7-13-9-15(20)5-6-18(13)24/h2-6,9-10H,7-8,11,22H2,1H3.
What are the key properties of 4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine?
4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine has a molecular weight of 356.83 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2,3-dihydroindol-1-yl)methyl]-1-(3-fluoro-2-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 122640610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).