N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide

C16H18ClN3O — CID 73349321

IUPACN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)C1CCCCC1
InChIInChI=1S/C16H18ClN3O/c17-13-8-6-11(7-9-13)14-10-15(20-19-14)18-16(21)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H2,18,19,20,21)
InChIKeyDRDCKXDPQDNGFX-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.25
Rot. Bonds3

About N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide (PubChem CID 73349321) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide
PubChem CID73349321
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)C1CCCCC1
InChIInChI=1S/C16H18ClN3O/c17-13-8-6-11(7-9-13)14-10-15(20-19-14)18-16(21)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H2,18,19,20,21)
InChIKeyDRDCKXDPQDNGFX-UHFFFAOYSA-N
XLogP4.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide (CID 73349321) is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide is O=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)C1CCCCC1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide?
The InChIKey is DRDCKXDPQDNGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-13-8-6-11(7-9-13)14-10-15(20-19-14)18-16(21)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H2,18,19,20,21).
What are the key properties of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide?
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide has a molecular weight of 303.79 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 73349321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).