N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide

C15H18ClN3O2 — CID 71993780

IUPACN-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(CNC(=O)Cc1cnn(C)c1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-11(21-14-5-3-13(16)4-6-14)8-17-15(20)7-12-9-18-19(2)10-12/h3-6,9-11H,7-8H2,1-2H3,(H,17,20)
InChIKeyLAJAVUTWVDDLPV-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.20
Rot. Bonds6

About N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide

N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 71993780) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID71993780
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(CNC(=O)Cc1cnn(C)c1)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-11(21-14-5-3-13(16)4-6-14)8-17-15(20)7-12-9-18-19(2)10-12/h3-6,9-11H,7-8H2,1-2H3,(H,17,20)
InChIKeyLAJAVUTWVDDLPV-UHFFFAOYSA-N
XLogP2.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenoxy)propyl]-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 75468254
1-[2-(4-chlorophenoxy)propyl]-2-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111680488
N-[2-(4-chlorophenoxy)propyl]-3-hydroxy-4-methylpentanamide
CID 75431267
2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
2-(4-chlorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]acetamide
CID 122131776
1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea
CID 71992450
N-[2-(4-chlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119804666
N-[2-(4-chlorophenoxy)ethyl]-2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide
CID 55916272
(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
CID 15239278
N-[2-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 60616315

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 71993780) is N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide is CC(CNC(=O)Cc1cnn(C)c1)Oc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is LAJAVUTWVDDLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-11(21-14-5-3-13(16)4-6-14)8-17-15(20)7-12-9-18-19(2)10-12/h3-6,9-11H,7-8H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide?
N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 307.78 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)propyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 71993780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).