propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate

C20H23Cl2N3O3 — CID 95782154

IUPACpropan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate
SMILESCC(C)OC(=O)[C@@H](C)CNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C20H23Cl2N3O3/c1-11(2)28-20(27)12(3)9-23-19(26)15-10-24-25(18(15)13-4-5-13)17-7-6-14(21)8-16(17)22/h6-8,10-13H,4-5,9H2,1-3H3,(H,23,26)/t12-/m0/s1
InChIKeyVPDUVNUDYCTVEE-LBPRGKRZSA-N
MW424.33 g/mol
LogP4.37
Rot. Bonds7

About propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate

propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate (PubChem CID 95782154) has the molecular formula C20H23Cl2N3O3 and a molecular weight of 424.33 g/mol. Its IUPAC name is propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate
PubChem CID95782154
Molecular FormulaC20H23Cl2N3O3
Molecular Weight424.33 g/mol
Exact Mass423.11
IUPAC Namepropan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate
SMILESCC(C)OC(=O)[C@@H](C)CNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C20H23Cl2N3O3/c1-11(2)28-20(27)12(3)9-23-19(26)15-10-24-25(18(15)13-4-5-13)17-7-6-14(21)8-16(17)22/h6-8,10-13H,4-5,9H2,1-3H3,(H,23,26)/t12-/m0/s1
InChIKeyVPDUVNUDYCTVEE-LBPRGKRZSA-N
XLogP4.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56558481
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(1-methoxypropan-2-yl)pyrazole-4-carboxamide
CID 55604750
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]pyrazole-4-carboxamide
CID 55609258
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 55606584
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 55795529
N-(1-benzylpyrazol-4-yl)-5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
CID 55982898
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide
CID 55604519
5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide
CID 55616369
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide
CID 86806324
5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]pyrazole-4-carbohydrazide
CID 55629182
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 39518259
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 55877479

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate?
The IUPAC name of propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate (CID 95782154) is propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate is CC(C)OC(=O)[C@@H](C)CNC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1.
What is the InChIKey of propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate?
The InChIKey is VPDUVNUDYCTVEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H23Cl2N3O3/c1-11(2)28-20(27)12(3)9-23-19(26)15-10-24-25(18(15)13-4-5-13)17-7-6-14(21)8-16(17)22/h6-8,10-13H,4-5,9H2,1-3H3,(H,23,26)/t12-/m0/s1.
What are the key properties of propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate?
propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate has a molecular weight of 424.33 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-3-[[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 95782154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).