N,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide

C16H20N4O2 — CID 131889976

IUPACN,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide
SMILESCCC(C(=O)Nc1ccc(C(=O)NC)cc1C)n1cccn1
InChIInChI=1S/C16H20N4O2/c1-4-14(20-9-5-8-18-20)16(22)19-13-7-6-12(10-11(13)2)15(21)17-3/h5-10,14H,4H2,1-3H3,(H,17,21)(H,19,22)
InChIKeyIGOLEFRRUOSTJT-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.14
Rot. Bonds5

About N,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide

N,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide (PubChem CID 131889976) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide
PubChem CID131889976
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide
SMILESCCC(C(=O)Nc1ccc(C(=O)NC)cc1C)n1cccn1
InChIInChI=1S/C16H20N4O2/c1-4-14(20-9-5-8-18-20)16(22)19-13-7-6-12(10-11(13)2)15(21)17-3/h5-10,14H,4H2,1-3H3,(H,17,21)(H,19,22)
InChIKeyIGOLEFRRUOSTJT-UHFFFAOYSA-N
XLogP2.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide?
The IUPAC name of N,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide (CID 131889976) is N,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide.
What is the SMILES notation for N,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide?
The canonical SMILES for N,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide is CCC(C(=O)Nc1ccc(C(=O)NC)cc1C)n1cccn1.
What is the InChIKey of N,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide?
The InChIKey is IGOLEFRRUOSTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-14(20-9-5-8-18-20)16(22)19-13-7-6-12(10-11(13)2)15(21)17-3/h5-10,14H,4H2,1-3H3,(H,17,21)(H,19,22).
What are the key properties of N,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide?
N,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide has a molecular weight of 300.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(2-pyrazol-1-ylbutanoylamino)benzamide is sourced from PubChem (CID 131889976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).