N-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide

C12H18ClN3O — CID 19283584

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCn1cc(Cl)cn1)C1CCCCC1
InChIInChI=1S/C12H18ClN3O/c13-11-8-15-16(9-11)7-6-14-12(17)10-4-2-1-3-5-10/h8-10H,1-7H2,(H,14,17)
InChIKeyDNBFAYIJYZEKAT-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.23
Rot. Bonds4

About N-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide

N-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide (PubChem CID 19283584) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide
PubChem CID19283584
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCn1cc(Cl)cn1)C1CCCCC1
InChIInChI=1S/C12H18ClN3O/c13-11-8-15-16(9-11)7-6-14-12(17)10-4-2-1-3-5-10/h8-10H,1-7H2,(H,14,17)
InChIKeyDNBFAYIJYZEKAT-UHFFFAOYSA-N
XLogP2.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide (CID 19283584) is N-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide is O=C(NCCn1cc(Cl)cn1)C1CCCCC1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is DNBFAYIJYZEKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c13-11-8-15-16(9-11)7-6-14-12(17)10-4-2-1-3-5-10/h8-10H,1-7H2,(H,14,17).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 255.75 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 19283584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).