N,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide

C16H27N3O2 — CID 50981946

IUPACN,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)CCC2CCCCO2)n(C)n1
InChIInChI=1S/C16H27N3O2/c1-12(2)14-11-15(19(4)17-14)16(20)18(3)9-8-13-7-5-6-10-21-13/h11-13H,5-10H2,1-4H3
InChIKeyPREPSAXUVIVEAJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.57
Rot. Bonds5

About N,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide

N,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 50981946) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID50981946
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(C)CCC2CCCCO2)n(C)n1
InChIInChI=1S/C16H27N3O2/c1-12(2)14-11-15(19(4)17-14)16(20)18(3)9-8-13-7-5-6-10-21-13/h11-13H,5-10H2,1-4H3
InChIKeyPREPSAXUVIVEAJ-UHFFFAOYSA-N
XLogP2.57
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 50981946) is N,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)N(C)CCC2CCCCO2)n(C)n1.
What is the InChIKey of N,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is PREPSAXUVIVEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)14-11-15(19(4)17-14)16(20)18(3)9-8-13-7-5-6-10-21-13/h11-13H,5-10H2,1-4H3.
What are the key properties of N,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide?
N,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(oxan-2-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 50981946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).