propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate

C23H25N3O3 — CID 56550784

IUPACpropan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(=O)OC(C)C)cc1
InChIInChI=1S/C23H25N3O3/c1-16(2)29-21(27)13-24-23(28)20-15-26(14-18-7-5-4-6-8-18)25-22(20)19-11-9-17(3)10-12-19/h4-12,15-16H,13-14H2,1-3H3,(H,24,28)
InChIKeyYFEALHRKZKXRFM-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.59
Rot. Bonds7

About propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate

propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate (PubChem CID 56550784) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
PubChem CID56550784
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Namepropan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(=O)OC(C)C)cc1
InChIInChI=1S/C23H25N3O3/c1-16(2)29-21(27)13-24-23(28)20-15-26(14-18-7-5-4-6-8-18)25-22(20)19-11-9-17(3)10-12-19/h4-12,15-16H,13-14H2,1-3H3,(H,24,28)
InChIKeyYFEALHRKZKXRFM-UHFFFAOYSA-N
XLogP3.59
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501
1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 9301580
N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119995333
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate
CID 56551041
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-phenylpyrazole-4-carboxamide
CID 18228084
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 119625953

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate (CID 56550784) is propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate is Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate?
The InChIKey is YFEALHRKZKXRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(2)29-21(27)13-24-23(28)20-15-26(14-18-7-5-4-6-8-18)25-22(20)19-11-9-17(3)10-12-19/h4-12,15-16H,13-14H2,1-3H3,(H,24,28).
What are the key properties of propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate?
propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate has a molecular weight of 391.47 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 56550784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).