2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

C10H17N3O — CID 60767361

IUPAC2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)C(C)(C)C
InChIInChI=1S/C10H17N3O/c1-7-8(6-12-13-7)5-11-9(14)10(2,3)4/h6H,5H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyPTLZNZHBULTMGU-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.38
Rot. Bonds2

About 2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 60767361) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID60767361
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1[nH]ncc1CNC(=O)C(C)(C)C
InChIInChI=1S/C10H17N3O/c1-7-8(6-12-13-7)5-11-9(14)10(2,3)4/h6H,5H2,1-4H3,(H,11,14)(H,12,13)
InChIKeyPTLZNZHBULTMGU-UHFFFAOYSA-N
XLogP1.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (CID 60767361) is 2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is Cc1[nH]ncc1CNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is PTLZNZHBULTMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-8(6-12-13-7)5-11-9(14)10(2,3)4/h6H,5H2,1-4H3,(H,11,14)(H,12,13).
What are the key properties of 2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 195.27 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 60767361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).