3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide

C16H22N4O — CID 71807803

IUPAC3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C16H22N4O/c1-16(2,3)12-15(21)18-9-11-20-10-6-14(19-20)13-4-7-17-8-5-13/h4-8,10H,9,11-12H2,1-3H3,(H,18,21)
InChIKeyIGGQLPNXPIPDDY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.50
Rot. Bonds5

About 3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide

3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide (PubChem CID 71807803) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide
PubChem CID71807803
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C16H22N4O/c1-16(2,3)12-15(21)18-9-11-20-10-6-14(19-20)13-4-7-17-8-5-13/h4-8,10H,9,11-12H2,1-3H3,(H,18,21)
InChIKeyIGGQLPNXPIPDDY-UHFFFAOYSA-N
XLogP2.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide (CID 71807803) is 3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide is CC(C)(C)CC(=O)NCCn1ccc(-c2ccncc2)n1.
What is the InChIKey of 3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide?
The InChIKey is IGGQLPNXPIPDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)12-15(21)18-9-11-20-10-6-14(19-20)13-4-7-17-8-5-13/h4-8,10H,9,11-12H2,1-3H3,(H,18,21).
What are the key properties of 3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide?
3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide has a molecular weight of 286.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 71807803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).