N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C19H25N3O2 — CID 18445835

IUPACN-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(NCC3CCCCC3)c1C2
InChIInChI=1S/C19H25N3O2/c1-23-16-9-13-8-15-18(14(13)10-17(16)24-2)21-22-19(15)20-11-12-6-4-3-5-7-12/h9-10,12H,3-8,11H2,1-2H3,(H2,20,21,22)
InChIKeyHIHLRXSKMPWEMX-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.99
Rot. Bonds5

About N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 18445835) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID18445835
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(NCC3CCCCC3)c1C2
InChIInChI=1S/C19H25N3O2/c1-23-16-9-13-8-15-18(14(13)10-17(16)24-2)21-22-19(15)20-11-12-6-4-3-5-7-12/h9-10,12H,3-8,11H2,1-2H3,(H2,20,21,22)
InChIKeyHIHLRXSKMPWEMX-UHFFFAOYSA-N
XLogP3.99
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 18445835) is N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is COc1cc2c(cc1OC)-c1[nH]nc(NCC3CCCCC3)c1C2.
What is the InChIKey of N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is HIHLRXSKMPWEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-23-16-9-13-8-15-18(14(13)10-17(16)24-2)21-22-19(15)20-11-12-6-4-3-5-7-12/h9-10,12H,3-8,11H2,1-2H3,(H2,20,21,22).
What are the key properties of N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 327.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 18445835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).