4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide

C12H18ClN3O — CID 3686322

IUPAC4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide
SMILESCc1nn(C(=O)NC2CCCCC2)c(C)c1Cl
InChIInChI=1S/C12H18ClN3O/c1-8-11(13)9(2)16(15-8)12(17)14-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,17)
InChIKeyMURRSNVLOBHGPM-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.04
Rot. Bonds1

About 4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide

4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide (PubChem CID 3686322) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide
PubChem CID3686322
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide
SMILESCc1nn(C(=O)NC2CCCCC2)c(C)c1Cl
InChIInChI=1S/C12H18ClN3O/c1-8-11(13)9(2)16(15-8)12(17)14-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,17)
InChIKeyMURRSNVLOBHGPM-UHFFFAOYSA-N
XLogP3.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide?
The IUPAC name of 4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide (CID 3686322) is 4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide?
The canonical SMILES for 4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide is Cc1nn(C(=O)NC2CCCCC2)c(C)c1Cl.
What is the InChIKey of 4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide?
The InChIKey is MURRSNVLOBHGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-11(13)9(2)16(15-8)12(17)14-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide?
4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-3,5-dimethylpyrazole-1-carboxamide is sourced from PubChem (CID 3686322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).