[4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine

C19H25N5 — CID 171767737

IUPAC[4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine
SMILESCCn1cc(-c2ccc3cn(C4CCC(CN)CC4)nc3c2)cn1
InChIInChI=1S/C19H25N5/c1-2-23-12-17(11-21-23)15-5-6-16-13-24(22-19(16)9-15)18-7-3-14(10-20)4-8-18/h5-6,9,11-14,18H,2-4,7-8,10,20H2,1H3
InChIKeyFKBIVBSFSBFTFW-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.61
Rot. Bonds4

About [4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine

[4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine (PubChem CID 171767737) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is [4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine
PubChem CID171767737
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name[4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine
SMILESCCn1cc(-c2ccc3cn(C4CCC(CN)CC4)nc3c2)cn1
InChIInChI=1S/C19H25N5/c1-2-23-12-17(11-21-23)15-5-6-16-13-24(22-19(16)9-15)18-7-3-14(10-20)4-8-18/h5-6,9,11-14,18H,2-4,7-8,10,20H2,1H3
InChIKeyFKBIVBSFSBFTFW-UHFFFAOYSA-N
XLogP3.61
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine?
The IUPAC name of [4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine (CID 171767737) is [4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine is CCn1cc(-c2ccc3cn(C4CCC(CN)CC4)nc3c2)cn1.
What is the InChIKey of [4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine?
The InChIKey is FKBIVBSFSBFTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-2-23-12-17(11-21-23)15-5-6-16-13-24(22-19(16)9-15)18-7-3-14(10-20)4-8-18/h5-6,9,11-14,18H,2-4,7-8,10,20H2,1H3.
What are the key properties of [4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine?
[4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine has a molecular weight of 323.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine is sourced from PubChem (CID 171767737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).