4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol

C21H23N3O2 — CID 70701585

IUPAC4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2ccc3c(c2)Cc2c(-c4ccoc4)n[nH]c2-3)CC1
InChIInChI=1S/C21H23N3O2/c25-17-4-2-16(3-5-17)22-11-13-1-6-18-15(9-13)10-19-20(23-24-21(18)19)14-7-8-26-12-14/h1,6-9,12,16-17,22,25H,2-5,10-11H2,(H,23,24)
InChIKeyMQYHCTJCBXXBCX-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.63
Rot. Bonds4

About 4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol

4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol (PubChem CID 70701585) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol
PubChem CID70701585
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2ccc3c(c2)Cc2c(-c4ccoc4)n[nH]c2-3)CC1
InChIInChI=1S/C21H23N3O2/c25-17-4-2-16(3-5-17)22-11-13-1-6-18-15(9-13)10-19-20(23-24-21(18)19)14-7-8-26-12-14/h1,6-9,12,16-17,22,25H,2-5,10-11H2,(H,23,24)
InChIKeyMQYHCTJCBXXBCX-UHFFFAOYSA-N
XLogP3.63
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol (CID 70701585) is 4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol is OC1CCC(NCc2ccc3c(c2)Cc2c(-c4ccoc4)n[nH]c2-3)CC1.
What is the InChIKey of 4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol?
The InChIKey is MQYHCTJCBXXBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-17-4-2-16(3-5-17)22-11-13-1-6-18-15(9-13)10-19-20(23-24-21(18)19)14-7-8-26-12-14/h1,6-9,12,16-17,22,25H,2-5,10-11H2,(H,23,24).
What are the key properties of 4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol?
4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol has a molecular weight of 349.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(furan-3-yl)-1,4-dihydroindeno[2,1-d]pyrazol-6-yl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 70701585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).