2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide

C9H13ClN4O2 — CID 82873706

IUPAC2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NCc1ccn(C)n1
InChIInChI=1S/C9H13ClN4O2/c1-6(10)8(15)12-9(16)11-5-7-3-4-14(2)13-7/h3-4,6H,5H2,1-2H3,(H2,11,12,15,16)
InChIKeyUGYNWJHEYOTSSZ-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.37
Rot. Bonds3

About 2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide

2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide (PubChem CID 82873706) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide
PubChem CID82873706
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NCc1ccn(C)n1
InChIInChI=1S/C9H13ClN4O2/c1-6(10)8(15)12-9(16)11-5-7-3-4-14(2)13-7/h3-4,6H,5H2,1-2H3,(H2,11,12,15,16)
InChIKeyUGYNWJHEYOTSSZ-UHFFFAOYSA-N
XLogP0.37
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 82873391
(2S)-2-amino-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82882870
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82867015
(2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82874077
(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82873249
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanedioic acid
CID 82874207
1-[4-(1-aminoethyl)phenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea
CID 82875331

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide (CID 82873706) is 2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide is CC(Cl)C(=O)NC(=O)NCc1ccn(C)n1.
What is the InChIKey of 2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide?
The InChIKey is UGYNWJHEYOTSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-6(10)8(15)12-9(16)11-5-7-3-4-14(2)13-7/h3-4,6H,5H2,1-2H3,(H2,11,12,15,16).
What are the key properties of 2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide?
2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide has a molecular weight of 244.68 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide is sourced from PubChem (CID 82873706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).