2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide

C10H17N3O — CID 82874484

IUPAC2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
SMILESCn1ccc(CNC(=O)C(C)(C)C)n1
InChIInChI=1S/C10H17N3O/c1-10(2,3)9(14)11-7-8-5-6-13(4)12-8/h5-6H,7H2,1-4H3,(H,11,14)
InChIKeyDADCTPHQNZPZLC-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.08
Rot. Bonds2

About 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide

2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide (PubChem CID 82874484) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
PubChem CID82874484
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
SMILESCn1ccc(CNC(=O)C(C)(C)C)n1
InChIInChI=1S/C10H17N3O/c1-10(2,3)9(14)11-7-8-5-6-13(4)12-8/h5-6H,7H2,1-4H3,(H,11,14)
InChIKeyDADCTPHQNZPZLC-UHFFFAOYSA-N
XLogP1.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbamothioyl-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82874011
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82882870
(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82873249
1-ethyl-3-[(1-methylpyrazol-3-yl)methyl]thiourea
CID 19571839
1-amino-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 82873363
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate
CID 82874679

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide (CID 82874484) is 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide is Cn1ccc(CNC(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide?
The InChIKey is DADCTPHQNZPZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,3)9(14)11-7-8-5-6-13(4)12-8/h5-6H,7H2,1-4H3,(H,11,14).
What are the key properties of 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide?
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide has a molecular weight of 195.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 82874484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).