2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide

C17H19ClN4O3 — CID 47067309

IUPAC2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C17H19ClN4O3/c1-11(25-15-4-2-3-12(18)7-15)17(24)21-14-8-19-22(9-14)10-16(23)20-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyHYFRCNKEYDNQFS-UHFFFAOYSA-N
MW362.82 g/mol
LogP2.22
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide

2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide (PubChem CID 47067309) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
PubChem CID47067309
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C17H19ClN4O3/c1-11(25-15-4-2-3-12(18)7-15)17(24)21-14-8-19-22(9-14)10-16(23)20-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyHYFRCNKEYDNQFS-UHFFFAOYSA-N
XLogP2.22
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenoxy)-N-[1-(propan-2-yl)-1H-pyrazol-4-yl]acetamide
CID 5299738
ethyl (4-{[(3-chlorophenoxy)acetyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1507424
4-(4-{[(3-chlorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)butanoic acid
CID 1507062
2-(2,4-dichlorophenoxy)-N-(1-methylpyrazol-4-yl)acetamide
CID 31921202
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-methoxyacetamide
CID 35592974
N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide
CID 47036478
2-(3-chlorophenoxy)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide
CID 49088847
2-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-(2-phenoxyethyl)acetamide
CID 53603947
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(4-methylpyrazol-1-yl)ethylamino]acetamide
CID 72142069
2-(2-chlorophenoxy)-N-(2-(6-oxo-3-(1H-pyrazol-1-yl)pyridazin-1(6H)-yl)ethyl)propanamide
CID 56765806
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}2-(p-chlorophenoxy)-2-methylpropionamide
CID 97428052
N-{1-[(tetrahydro-4H-pyran-4-yl)methyl]-4-pyrazolyl}(S)-2-phenoxypropionamide
CID 99875820

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide (CID 47067309) is 2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide?
The InChIKey is HYFRCNKEYDNQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-11(25-15-4-2-3-12(18)7-15)17(24)21-14-8-19-22(9-14)10-16(23)20-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide?
2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide has a molecular weight of 362.82 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 47067309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).