N-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide

C18H23N3O — CID 47092747

IUPACN-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C18H23N3O/c22-18(15-7-3-1-4-8-15)19-13-11-16-12-14-21(20-16)17-9-5-2-6-10-17/h2,5-6,9-10,12,14-15H,1,3-4,7-8,11,13H2,(H,19,22)
InChIKeyDYEUWGMQMXFQOI-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide

N-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide (PubChem CID 47092747) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide
PubChem CID47092747
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C18H23N3O/c22-18(15-7-3-1-4-8-15)19-13-11-16-12-14-21(20-16)17-9-5-2-6-10-17/h2,5-6,9-10,12,14-15H,1,3-4,7-8,11,13H2,(H,19,22)
InChIKeyDYEUWGMQMXFQOI-UHFFFAOYSA-N
XLogP3.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide (CID 47092747) is N-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide is O=C(NCCc1ccn(-c2ccccc2)n1)C1CCCCC1.
What is the InChIKey of N-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is DYEUWGMQMXFQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18(15-7-3-1-4-8-15)19-13-11-16-12-14-21(20-16)17-9-5-2-6-10-17/h2,5-6,9-10,12,14-15H,1,3-4,7-8,11,13H2,(H,19,22).
What are the key properties of N-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide?
N-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylpyrazol-3-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 47092747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).