N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide

C12H21N3O2 — CID 75505806

IUPACN-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide
SMILESCOCCCn1cc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)11(16)14-10-8-13-15(9-10)6-5-7-17-4/h8-9H,5-7H2,1-4H3,(H,14,16)
InChIKeyHBUZBABLNKTMIR-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.90
Rot. Bonds5

About N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide

N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide (PubChem CID 75505806) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide
PubChem CID75505806
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide
SMILESCOCCCn1cc(NC(=O)C(C)(C)C)cn1
InChIInChI=1S/C12H21N3O2/c1-12(2,3)11(16)14-10-8-13-15(9-10)6-5-7-17-4/h8-9H,5-7H2,1-4H3,(H,14,16)
InChIKeyHBUZBABLNKTMIR-UHFFFAOYSA-N
XLogP1.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide
CID 51114235
tert-butyl (2-(4-amino-1H-pyrazol-1-yl)ethyl)carbamate
CID 70984316
tert-butyl (3-(4-amino-1H-pyrazol-1-yl)propyl)carbamate
CID 84728083
tert-butyl 3-(4-amino-1H-pyrazol-1-yl)propanoate
CID 125725745
2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 71979170
3,3-dimethyl-N-(1-methylpyrazol-4-yl)butanamide
CID 45882619
2,2,2-trifluoroethyl N-(1-ethyl-1H-pyrazol-4-yl)carbamate
CID 43543991
2-(2-methoxyethylsulfanyl)-N-(1-methylpyrazol-4-yl)acetamide
CID 45814918
N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide
CID 47200160
4,4,4-trifluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)butanamide
CID 71810259
2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide
CID 71991698
1-(3-Methoxypropyl)-3-(1-methylpyrazol-4-yl)urea
CID 75414853

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide (CID 75505806) is N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide is COCCCn1cc(NC(=O)C(C)(C)C)cn1.
What is the InChIKey of N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide?
The InChIKey is HBUZBABLNKTMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,3)11(16)14-10-8-13-15(9-10)6-5-7-17-4/h8-9H,5-7H2,1-4H3,(H,14,16).
What are the key properties of N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide?
N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypropyl)pyrazol-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 75505806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).