N,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide

C15H21N5O — CID 157262847

IUPACN,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide
SMILESCN(C(=O)CC(C)(C)C)c1cc(-c2cncnc2)nn1C
InChIInChI=1S/C15H21N5O/c1-15(2,3)7-14(21)19(4)13-6-12(18-20(13)5)11-8-16-10-17-9-11/h6,8-10H,7H2,1-5H3
InChIKeyAXQXITOXMPEKEI-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.28
Rot. Bonds3

About N,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide

N,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide (PubChem CID 157262847) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide.

Molecular Properties

Compound NameN,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide
PubChem CID157262847
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide
SMILESCN(C(=O)CC(C)(C)C)c1cc(-c2cncnc2)nn1C
InChIInChI=1S/C15H21N5O/c1-15(2,3)7-14(21)19(4)13-6-12(18-20(13)5)11-8-16-10-17-9-11/h6,8-10H,7H2,1-5H3
InChIKeyAXQXITOXMPEKEI-UHFFFAOYSA-N
XLogP2.28
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide?
The IUPAC name of N,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide (CID 157262847) is N,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide.
What is the SMILES notation for N,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide?
The canonical SMILES for N,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide is CN(C(=O)CC(C)(C)C)c1cc(-c2cncnc2)nn1C.
What is the InChIKey of N,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide?
The InChIKey is AXQXITOXMPEKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-15(2,3)7-14(21)19(4)13-6-12(18-20(13)5)11-8-16-10-17-9-11/h6,8-10H,7H2,1-5H3.
What are the key properties of N,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide?
N,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide has a molecular weight of 287.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-(1-methyl-3-pyrimidin-5-ylpyrazol-5-yl)butanamide is sourced from PubChem (CID 157262847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).