2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide

C18H23ClN6O4 — CID 166233942

IUPAC2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)Nc2ccn(CC(N)=O)n2)cc1Cl
InChIInChI=1S/C18H23ClN6O4/c1-3-24(4-2)17(27)11-29-14-6-5-12(9-13(14)19)21-18(28)22-16-7-8-25(23-16)10-15(20)26/h5-9H,3-4,10-11H2,1-2H3,(H2,20,26)(H2,21,22,23,28)
InChIKeyACMCGOSXQQHXHE-UHFFFAOYSA-N
MW422.87 g/mol
LogP1.91
Rot. Bonds9

About 2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide

2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide (PubChem CID 166233942) has the molecular formula C18H23ClN6O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is 2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide
PubChem CID166233942
Molecular FormulaC18H23ClN6O4
Molecular Weight422.87 g/mol
Exact Mass422.15
IUPAC Name2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)Nc2ccn(CC(N)=O)n2)cc1Cl
InChIInChI=1S/C18H23ClN6O4/c1-3-24(4-2)17(27)11-29-14-6-5-12(9-13(14)19)21-18(28)22-16-7-8-25(23-16)10-15(20)26/h5-9H,3-4,10-11H2,1-2H3,(H2,20,26)(H2,21,22,23,28)
InChIKeyACMCGOSXQQHXHE-UHFFFAOYSA-N
XLogP1.91
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119717715
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119717697
4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide
CID 120588524
2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide
CID 39171702
3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride
CID 119717718
5-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 34354427
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide
CID 55611108
2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180625
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide
CID 39171469
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide
CID 55872621
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide
CID 55619888

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide (CID 166233942) is 2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide is CCN(CC)C(=O)COc1ccc(NC(=O)Nc2ccn(CC(N)=O)n2)cc1Cl.
What is the InChIKey of 2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide?
The InChIKey is ACMCGOSXQQHXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O4/c1-3-24(4-2)17(27)11-29-14-6-5-12(9-13(14)19)21-18(28)22-16-7-8-25(23-16)10-15(20)26/h5-9H,3-4,10-11H2,1-2H3,(H2,20,26)(H2,21,22,23,28).
What are the key properties of 2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide?
2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide has a molecular weight of 422.87 g/mol, XLogP of 1.91, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 166233942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).