N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide

C12H21N3O — CID 121446735

IUPACN,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1ccn(C)n1
InChIInChI=1S/C12H21N3O/c1-6-12(2,3)11(16)14(4)9-10-7-8-15(5)13-10/h7-8H,6,9H2,1-5H3
InChIKeyJUOYTAJHRBSPIA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.81
Rot. Bonds4

About N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide

N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide (PubChem CID 121446735) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
PubChem CID121446735
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1ccn(C)n1
InChIInChI=1S/C12H21N3O/c1-6-12(2,3)11(16)14(4)9-10-7-8-15(5)13-10/h7-8H,6,9H2,1-5H3
InChIKeyJUOYTAJHRBSPIA-UHFFFAOYSA-N
XLogP1.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The IUPAC name of N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide (CID 121446735) is N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The canonical SMILES for N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide is CCC(C)(C)C(=O)N(C)Cc1ccn(C)n1.
What is the InChIKey of N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
The InChIKey is JUOYTAJHRBSPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-6-12(2,3)11(16)14(4)9-10-7-8-15(5)13-10/h7-8H,6,9H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide?
N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide has a molecular weight of 223.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide is sourced from PubChem (CID 121446735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).