2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide

C11H18N4O2 — CID 43429751

IUPAC2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H18N4O2/c1-7(14-10(17)11(2,3)4)9(16)15-8-5-12-13-6-8/h5-7H,1-4H3,(H,12,13)(H,14,17)(H,15,16)
InChIKeySNPFTQRKFLPQHM-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.90
Rot. Bonds3

About 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide

2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide (PubChem CID 43429751) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide
PubChem CID43429751
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H18N4O2/c1-7(14-10(17)11(2,3)4)9(16)15-8-5-12-13-6-8/h5-7H,1-4H3,(H,12,13)(H,14,17)(H,15,16)
InChIKeySNPFTQRKFLPQHM-UHFFFAOYSA-N
XLogP0.90
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-Acetylaminopyrazole
CID 12346894
N-(1H-pyrazol-4-yl)-4-(3-sulfanylpropanoylamino)butanamide
CID 177681374
N-methyl-2-[4-(1H-pyrazol-4-ylcarbamoylamino)piperidin-1-yl]acetamide
CID 53503350
3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 71893159
4-methyl-2-(2-oxopiperidin-1-yl)-N-(1H-pyrazol-4-yl)pentanamide
CID 71972608
2,2-dimethyl-N-[1-[2-oxo-2-(propylamino)ethyl]pyrazol-4-yl]propanamide
CID 71991698
N-[2-(dimethylamino)ethyl]-2-[4-(2,2-dimethylpropylamino)pyrazol-1-yl]acetamide
CID 75444013
(2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide
CID 95628337
(2S)-2-[(1-tert-butylpyrazol-4-yl)amino]-N,N-diethylpropanamide
CID 97880860
(2S)-N-methyl-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)amino]propanamide
CID 97880885
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 126789290

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide (CID 43429751) is 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide is CC(NC(=O)C(C)(C)C)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide?
The InChIKey is SNPFTQRKFLPQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(14-10(17)11(2,3)4)9(16)15-8-5-12-13-6-8/h5-7H,1-4H3,(H,12,13)(H,14,17)(H,15,16).
What are the key properties of 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide?
2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-oxo-1-(1H-pyrazol-4-ylamino)propan-2-yl]propanamide is sourced from PubChem (CID 43429751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).