N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide

C13H21N3O — CID 51075762

IUPACN-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CCCCC2)cnn1C
InChIInChI=1S/C13H21N3O/c1-10-12(9-14-16(10)3)13(17)15(2)11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3
InChIKeyCNPRBMVAFIPGML-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds2

About N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide

N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide (PubChem CID 51075762) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
PubChem CID51075762
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CCCCC2)cnn1C
InChIInChI=1S/C13H21N3O/c1-10-12(9-14-16(10)3)13(17)15(2)11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3
InChIKeyCNPRBMVAFIPGML-UHFFFAOYSA-N
XLogP2.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide (CID 51075762) is N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)C2CCCCC2)cnn1C.
What is the InChIKey of N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide?
The InChIKey is CNPRBMVAFIPGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-12(9-14-16(10)3)13(17)15(2)11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3.
What are the key properties of N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide?
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 51075762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).