N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine

C18H17N3 — CID 43688255

IUPACN-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc2c(c1)CCC2Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H17N3/c1-2-5-17-14(4-1)6-11-18(17)20-15-7-9-16(10-8-15)21-13-3-12-19-21/h1-5,7-10,12-13,18,20H,6,11H2
InChIKeyKBISCPBKJUXWCW-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.97
Rot. Bonds3

About N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine

N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 43688255) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID43688255
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC NameN-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc2c(c1)CCC2Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H17N3/c1-2-5-17-14(4-1)6-11-18(17)20-15-7-9-16(10-8-15)21-13-3-12-19-21/h1-5,7-10,12-13,18,20H,6,11H2
InChIKeyKBISCPBKJUXWCW-UHFFFAOYSA-N
XLogP3.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine (CID 43688255) is N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine is c1ccc2c(c1)CCC2Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KBISCPBKJUXWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-2-5-17-14(4-1)6-11-18(17)20-15-7-9-16(10-8-15)21-13-3-12-19-21/h1-5,7-10,12-13,18,20H,6,11H2.
What are the key properties of N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine?
N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 275.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43688255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).