3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide

C19H21N5O2 — CID 176502237

IUPAC3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NC1CCC(n2cc(-c3cnccn3)cn2)CC1
InChIInChI=1S/C19H21N5O2/c1-13-6-9-26-18(13)19(25)23-15-2-4-16(5-3-15)24-12-14(10-22-24)17-11-20-7-8-21-17/h6-12,15-16H,2-5H2,1H3,(H,23,25)
InChIKeyRUBQBVHIOPBFLK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.16
Rot. Bonds4

About 3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide

3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide (PubChem CID 176502237) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide
PubChem CID176502237
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NC1CCC(n2cc(-c3cnccn3)cn2)CC1
InChIInChI=1S/C19H21N5O2/c1-13-6-9-26-18(13)19(25)23-15-2-4-16(5-3-15)24-12-14(10-22-24)17-11-20-7-8-21-17/h6-12,15-16H,2-5H2,1H3,(H,23,25)
InChIKeyRUBQBVHIOPBFLK-UHFFFAOYSA-N
XLogP3.16
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide (CID 176502237) is 3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide is Cc1ccoc1C(=O)NC1CCC(n2cc(-c3cnccn3)cn2)CC1.
What is the InChIKey of 3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide?
The InChIKey is RUBQBVHIOPBFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-6-9-26-18(13)19(25)23-15-2-4-16(5-3-15)24-12-14(10-22-24)17-11-20-7-8-21-17/h6-12,15-16H,2-5H2,1H3,(H,23,25).
What are the key properties of 3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide?
3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4-pyrazin-2-ylpyrazol-1-yl)cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 176502237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).