3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide

C10H16ClN3O — CID 103005493

IUPAC3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
SMILESCC(CCl)C(=O)NCCc1ccnn1C
InChIInChI=1S/C10H16ClN3O/c1-8(7-11)10(15)12-5-3-9-4-6-13-14(9)2/h4,6,8H,3,5,7H2,1-2H3,(H,12,15)
InChIKeyWYSYKJHTMGGEAZ-UHFFFAOYSA-N
MW229.71 g/mol
LogP0.95
Rot. Bonds5

About 3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide

3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide (PubChem CID 103005493) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
PubChem CID103005493
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
SMILESCC(CCl)C(=O)NCCc1ccnn1C
InChIInChI=1S/C10H16ClN3O/c1-8(7-11)10(15)12-5-3-9-4-6-13-14(9)2/h4,6,8H,3,5,7H2,1-2H3,(H,12,15)
InChIKeyWYSYKJHTMGGEAZ-UHFFFAOYSA-N
XLogP0.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
3-amino-3-hydroxyimino-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103010114
4-methyl-5-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 103009666
N-[2-(2-methylpyrazol-3-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 103006710
1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75522807
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 103004667
(2R)-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]butanedioic acid
CID 103009311
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide
CID 103006809
(2S)-3-hydroxy-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 103009431
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide
CID 103006628
3-chloro-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 62727761

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide?
The IUPAC name of 3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide (CID 103005493) is 3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide is CC(CCl)C(=O)NCCc1ccnn1C.
What is the InChIKey of 3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide?
The InChIKey is WYSYKJHTMGGEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-8(7-11)10(15)12-5-3-9-4-6-13-14(9)2/h4,6,8H,3,5,7H2,1-2H3,(H,12,15).
What are the key properties of 3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide?
3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide has a molecular weight of 229.71 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 103005493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).