2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide

C15H17Cl2N5O2 — CID 167888685

IUPAC2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESCC(Cn1cccn1)(NCC(=O)Nc1cc(Cl)cc(Cl)c1)C(N)=O
InChIInChI=1S/C15H17Cl2N5O2/c1-15(14(18)24,9-22-4-2-3-20-22)19-8-13(23)21-12-6-10(16)5-11(17)7-12/h2-7,19H,8-9H2,1H3,(H2,18,24)(H,21,23)
InChIKeyTTYQWDJTWYQKGS-UHFFFAOYSA-N
MW370.24 g/mol
LogP1.66
Rot. Bonds7

About 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide

2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide (PubChem CID 167888685) has the molecular formula C15H17Cl2N5O2 and a molecular weight of 370.24 g/mol. Its IUPAC name is 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide
PubChem CID167888685
Molecular FormulaC15H17Cl2N5O2
Molecular Weight370.24 g/mol
Exact Mass369.08
IUPAC Name2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESCC(Cn1cccn1)(NCC(=O)Nc1cc(Cl)cc(Cl)c1)C(N)=O
InChIInChI=1S/C15H17Cl2N5O2/c1-15(14(18)24,9-22-4-2-3-20-22)19-8-13(23)21-12-6-10(16)5-11(17)7-12/h2-7,19H,8-9H2,1H3,(H2,18,24)(H,21,23)
InChIKeyTTYQWDJTWYQKGS-UHFFFAOYSA-N
XLogP1.66
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-2-pyrrol-1-ylacetamide
CID 110688645
methyl N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525385
N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835369
N-(3,5-dichlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616039
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79801945
N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide
CID 136567512
2-(2-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54810505
1-(3,5-dichloroanilino)-3-pyrazol-1-ylpropan-2-ol
CID 60896952
ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate
CID 109011040
N-(3,5-dichlorophenyl)-2-[[4-ethyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 137058507
N-(3,5-dichlorophenyl)-2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2040423

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide?
The IUPAC name of 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide (CID 167888685) is 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide?
The canonical SMILES for 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide is CC(Cn1cccn1)(NCC(=O)Nc1cc(Cl)cc(Cl)c1)C(N)=O.
What is the InChIKey of 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide?
The InChIKey is TTYQWDJTWYQKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5O2/c1-15(14(18)24,9-22-4-2-3-20-22)19-8-13(23)21-12-6-10(16)5-11(17)7-12/h2-7,19H,8-9H2,1H3,(H2,18,24)(H,21,23).
What are the key properties of 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide?
2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide has a molecular weight of 370.24 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-2-methyl-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 167888685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).