N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide

C15H23N3O — CID 22434267

IUPACN-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide
SMILESCCCC(=O)Nc1c(C2=CCCCC2)c(C)nn1C
InChIInChI=1S/C15H23N3O/c1-4-8-13(19)16-15-14(11(2)17-18(15)3)12-9-6-5-7-10-12/h9H,4-8,10H2,1-3H3,(H,16,19)
InChIKeyVSPGFWGMCCETTO-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.42
Rot. Bonds4

About N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide

N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide (PubChem CID 22434267) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide
PubChem CID22434267
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide
SMILESCCCC(=O)Nc1c(C2=CCCCC2)c(C)nn1C
InChIInChI=1S/C15H23N3O/c1-4-8-13(19)16-15-14(11(2)17-18(15)3)12-9-6-5-7-10-12/h9H,4-8,10H2,1-3H3,(H,16,19)
InChIKeyVSPGFWGMCCETTO-UHFFFAOYSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide?
The IUPAC name of N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide (CID 22434267) is N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide.
What is the SMILES notation for N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide?
The canonical SMILES for N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide is CCCC(=O)Nc1c(C2=CCCCC2)c(C)nn1C.
What is the InChIKey of N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide?
The InChIKey is VSPGFWGMCCETTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-8-13(19)16-15-14(11(2)17-18(15)3)12-9-6-5-7-10-12/h9H,4-8,10H2,1-3H3,(H,16,19).
What are the key properties of N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide?
N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide has a molecular weight of 261.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexen-1-yl)-1,3-dimethylpyrazol-5-yl]butanamide is sourced from PubChem (CID 22434267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).