N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide

C8H13N5O2 — CID 79778444

IUPACN-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide
SMILESCC(Nc1cnn(C)c1)C(=O)NC(N)=O
InChIInChI=1S/C8H13N5O2/c1-5(7(14)12-8(9)15)11-6-3-10-13(2)4-6/h3-5,11H,1-2H3,(H3,9,12,14,15)
InChIKeyYCIQSSNGDIPQEY-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.58
Rot. Bonds3

About N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide

N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide (PubChem CID 79778444) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide
PubChem CID79778444
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC NameN-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide
SMILESCC(Nc1cnn(C)c1)C(=O)NC(N)=O
InChIInChI=1S/C8H13N5O2/c1-5(7(14)12-8(9)15)11-6-3-10-13(2)4-6/h3-5,11H,1-2H3,(H3,9,12,14,15)
InChIKeyYCIQSSNGDIPQEY-UHFFFAOYSA-N
XLogP-0.58
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylbutan-2-yl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79779147
methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate
CID 79778645
2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 79769934
(2R)-N-(3-chlorophenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 97347601
(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
CID 28835532
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride
CID 155858284
N-(5-fluoro-2-methylphenyl)-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 75507032
3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 76925346
N-carbamoyl-2-(4-methylsulfanylanilino)propanamide
CID 43086461
N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide
CID 43086081
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)amino]butanoic acid
CID 127020438

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide?
The IUPAC name of N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide (CID 79778444) is N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide?
The canonical SMILES for N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide is CC(Nc1cnn(C)c1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide?
The InChIKey is YCIQSSNGDIPQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-5(7(14)12-8(9)15)11-6-3-10-13(2)4-6/h3-5,11H,1-2H3,(H3,9,12,14,15).
What are the key properties of N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide?
N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide has a molecular weight of 211.22 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide is sourced from PubChem (CID 79778444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).