N-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide

C16H29N3O2 — CID 70737148

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N(C)CC(CC)(CC)CO)n(C)n1
InChIInChI=1S/C16H29N3O2/c1-6-9-13-10-14(19(5)17-13)15(21)18(4)11-16(7-2,8-3)12-20/h10,20H,6-9,11-12H2,1-5H3
InChIKeyULABFGMGNGDOGG-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.24
Rot. Bonds8

About N-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide (PubChem CID 70737148) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide
PubChem CID70737148
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N(C)CC(CC)(CC)CO)n(C)n1
InChIInChI=1S/C16H29N3O2/c1-6-9-13-10-14(19(5)17-13)15(21)18(4)11-16(7-2,8-3)12-20/h10,20H,6-9,11-12H2,1-5H3
InChIKeyULABFGMGNGDOGG-UHFFFAOYSA-N
XLogP2.24
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide (CID 70737148) is N-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)N(C)CC(CC)(CC)CO)n(C)n1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
The InChIKey is ULABFGMGNGDOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-9-13-10-14(19(5)17-13)15(21)18(4)11-16(7-2,8-3)12-20/h10,20H,6-9,11-12H2,1-5H3.
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 70737148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).