3-chloro-N-(1H-pyrazol-5-yl)propanamide

C6H8ClN3O — CID 61394394

IUPAC3-chloro-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C(CCCl)Nc1ccn[nH]1
InChIInChI=1S/C6H8ClN3O/c7-3-1-6(11)9-5-2-4-8-10-5/h2,4H,1,3H2,(H2,8,9,10,11)
InChIKeyNIYQYTRTUXHIGC-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.98
Rot. Bonds3

About 3-chloro-N-(1H-pyrazol-5-yl)propanamide

3-chloro-N-(1H-pyrazol-5-yl)propanamide (PubChem CID 61394394) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 3-chloro-N-(1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(1H-pyrazol-5-yl)propanamide
PubChem CID61394394
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name3-chloro-N-(1H-pyrazol-5-yl)propanamide
SMILESO=C(CCCl)Nc1ccn[nH]1
InChIInChI=1S/C6H8ClN3O/c7-3-1-6(11)9-5-2-4-8-10-5/h2,4H,1,3H2,(H2,8,9,10,11)
InChIKeyNIYQYTRTUXHIGC-UHFFFAOYSA-N
XLogP0.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-chloro-N-(1H-pyrazol-5-yl)propanamide (CID 61394394) is 3-chloro-N-(1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-chloro-N-(1H-pyrazol-5-yl)propanamide is O=C(CCCl)Nc1ccn[nH]1.
What is the InChIKey of 3-chloro-N-(1H-pyrazol-5-yl)propanamide?
The InChIKey is NIYQYTRTUXHIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c7-3-1-6(11)9-5-2-4-8-10-5/h2,4H,1,3H2,(H2,8,9,10,11).
What are the key properties of 3-chloro-N-(1H-pyrazol-5-yl)propanamide?
3-chloro-N-(1H-pyrazol-5-yl)propanamide has a molecular weight of 173.60 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 61394394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).