[4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine

C18H23N5 — CID 171469316

IUPAC[4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine
SMILESCn1cc(-c2ccc3nn(C4CCC(CN)CC4)cc3c2)cn1
InChIInChI=1S/C18H23N5/c1-22-11-16(10-20-22)14-4-7-18-15(8-14)12-23(21-18)17-5-2-13(9-19)3-6-17/h4,7-8,10-13,17H,2-3,5-6,9,19H2,1H3
InChIKeyXFPJCIRCFGXBCK-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.13
Rot. Bonds3

About [4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine

[4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine (PubChem CID 171469316) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is [4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine
PubChem CID171469316
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name[4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine
SMILESCn1cc(-c2ccc3nn(C4CCC(CN)CC4)cc3c2)cn1
InChIInChI=1S/C18H23N5/c1-22-11-16(10-20-22)14-4-7-18-15(8-14)12-23(21-18)17-5-2-13(9-19)3-6-17/h4,7-8,10-13,17H,2-3,5-6,9,19H2,1H3
InChIKeyXFPJCIRCFGXBCK-UHFFFAOYSA-N
XLogP3.13
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine?
The IUPAC name of [4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine (CID 171469316) is [4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine is Cn1cc(-c2ccc3nn(C4CCC(CN)CC4)cc3c2)cn1.
What is the InChIKey of [4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine?
The InChIKey is XFPJCIRCFGXBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-22-11-16(10-20-22)14-4-7-18-15(8-14)12-23(21-18)17-5-2-13(9-19)3-6-17/h4,7-8,10-13,17H,2-3,5-6,9,19H2,1H3.
What are the key properties of [4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine?
[4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine has a molecular weight of 309.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine is sourced from PubChem (CID 171469316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).