2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide

C11H19ClN4O — CID 54867250

IUPAC2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
SMILESCCN(CC)CCn1cc(NC(=O)CCl)cn1
InChIInChI=1S/C11H19ClN4O/c1-3-15(4-2)5-6-16-9-10(8-13-16)14-11(17)7-12/h8-9H,3-7H2,1-2H3,(H,14,17)
InChIKeyYVIFQRKSKNNTSA-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.40
Rot. Bonds7

About 2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide

2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide (PubChem CID 54867250) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
PubChem CID54867250
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
SMILESCCN(CC)CCn1cc(NC(=O)CCl)cn1
InChIInChI=1S/C11H19ClN4O/c1-3-15(4-2)5-6-16-9-10(8-13-16)14-11(17)7-12/h8-9H,3-7H2,1-2H3,(H,14,17)
InChIKeyYVIFQRKSKNNTSA-UHFFFAOYSA-N
XLogP1.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357
3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide
CID 81071014
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide
CID 62638227
1-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 60945429
5-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpentanamide
CID 104684262
4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide
CID 47076856
3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide
CID 47926908
2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 51095081
methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate
CID 66172738
2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide
CID 47927297
2-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 64823183
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide
CID 60587081

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide (CID 54867250) is 2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide is CCN(CC)CCn1cc(NC(=O)CCl)cn1.
What is the InChIKey of 2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide?
The InChIKey is YVIFQRKSKNNTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-3-15(4-2)5-6-16-9-10(8-13-16)14-11(17)7-12/h8-9H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide?
2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide has a molecular weight of 258.75 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 54867250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).