ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide

C10H19N3O — CID 178157560

IUPACethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
SMILESCC.CC(C)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C8H13N3O.C2H6/c1-6(2)8(12)10-7-4-9-11(3)5-7;1-2/h4-6H,1-3H3,(H,10,12);1-2H3
InChIKeyJFVDFPGPXMKQHE-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.04
Rot. Bonds2

About ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide

ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide (PubChem CID 178157560) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Nameethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
PubChem CID178157560
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Nameethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
SMILESCC.CC(C)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C8H13N3O.C2H6/c1-6(2)8(12)10-7-4-9-11(3)5-7;1-2/h4-6H,1-3H3,(H,10,12);1-2H3
InChIKeyJFVDFPGPXMKQHE-UHFFFAOYSA-N
XLogP2.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide
CID 93104460
3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 76925346
N-(1-methylpyrazol-4-yl)-2-pyrazol-1-ylpropanamide
CID 47187700
2-butyl-N-(1-methylpyrazol-4-yl)hexanamide
CID 139359487
2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 61199626
1-[4-(1-hydroxyethyl)phenyl]-3-(1-methylpyrazol-4-yl)urea
CID 61340878
(2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 97347601
2-(N'-hydroxycarbamimidoyl)-N-(1-methylpyrazol-4-yl)butanamide
CID 76925347
3-methyl-N-(1-methylpyrazol-4-yl)but-2-enamide
CID 130157202
2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate
CID 155404223
2-hydroxy-3-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 66166738
1-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 86991547

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide (CID 178157560) is ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide is CC.CC(C)C(=O)Nc1cnn(C)c1.
What is the InChIKey of ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is JFVDFPGPXMKQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.C2H6/c1-6(2)8(12)10-7-4-9-11(3)5-7;1-2/h4-6H,1-3H3,(H,10,12);1-2H3.
What are the key properties of ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 197.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 178157560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).