2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide

C18H21ClN4O3 — CID 102567233

IUPAC2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
SMILESCC(Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C18H21ClN4O3/c1-12(17(25)20-10-9-16(24)21-13-7-8-13)26-18-15(19)11-23(22-18)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,20,25)(H,21,24)
InChIKeyGJGZGRMFYLSKKT-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.08
Rot. Bonds8

About 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide

2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide (PubChem CID 102567233) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
PubChem CID102567233
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
SMILESCC(Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C18H21ClN4O3/c1-12(17(25)20-10-9-16(24)21-13-7-8-13)26-18-15(19)11-23(22-18)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,20,25)(H,21,24)
InChIKeyGJGZGRMFYLSKKT-UHFFFAOYSA-N
XLogP2.08
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide
CID 100829263
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
CID 110210597
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide
CID 100829260
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylacetamide
CID 100829183
3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide
CID 100829150
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 102567217
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide
CID 102567223
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]propanamide
CID 100829318
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 102567212
1-(azepan-1-yl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxypropan-1-one
CID 102567189
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 102552852
(2S)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100819736

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide?
The IUPAC name of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide (CID 102567233) is 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide.
What is the SMILES notation for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide?
The canonical SMILES for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide is CC(Oc1nn(-c2ccccc2)cc1Cl)C(=O)NCCC(=O)NC1CC1.
What is the InChIKey of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide?
The InChIKey is GJGZGRMFYLSKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-12(17(25)20-10-9-16(24)21-13-7-8-13)26-18-15(19)11-23(22-18)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,20,25)(H,21,24).
What are the key properties of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide?
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide has a molecular weight of 376.84 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide is sourced from PubChem (CID 102567233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).