benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate

C21H22N4O3 — CID 43069999

IUPACbenzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate
SMILESCC(C)c1c(C(=O)NCC(=O)OCc2ccccc2)cnn1-c1ccccn1
InChIInChI=1S/C21H22N4O3/c1-15(2)20-17(12-24-25(20)18-10-6-7-11-22-18)21(27)23-13-19(26)28-14-16-8-4-3-5-9-16/h3-12,15H,13-14H2,1-2H3,(H,23,27)
InChIKeySXIHZXXRJHYWOQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.86
Rot. Bonds7

About benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate

benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate (PubChem CID 43069999) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate
PubChem CID43069999
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Namebenzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate
SMILESCC(C)c1c(C(=O)NCC(=O)OCc2ccccc2)cnn1-c1ccccn1
InChIInChI=1S/C21H22N4O3/c1-15(2)20-17(12-24-25(20)18-10-6-7-11-22-18)21(27)23-13-19(26)28-14-16-8-4-3-5-9-16/h3-12,15H,13-14H2,1-2H3,(H,23,27)
InChIKeySXIHZXXRJHYWOQ-UHFFFAOYSA-N
XLogP2.86
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate
CID 46429270
5-propan-2-yl-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 46430520
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38032304
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46426792
5-propan-2-yl-1-pyridin-2-yl-N-(1,2-thiazol-5-ylmethyl)pyrazole-4-carboxamide
CID 126824859
N-[(2-ethoxy-3-pyridinyl)methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46426796
N-[3-(N-ethylanilino)propyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427330
N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900
[2-(2-benzylanilino)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46605439
N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 43070399
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide
CID 46426896
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 43070019

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate?
The IUPAC name of benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate (CID 43069999) is benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate?
The canonical SMILES for benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate is CC(C)c1c(C(=O)NCC(=O)OCc2ccccc2)cnn1-c1ccccn1.
What is the InChIKey of benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate?
The InChIKey is SXIHZXXRJHYWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15(2)20-17(12-24-25(20)18-10-6-7-11-22-18)21(27)23-13-19(26)28-14-16-8-4-3-5-9-16/h3-12,15H,13-14H2,1-2H3,(H,23,27).
What are the key properties of benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate?
benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate has a molecular weight of 378.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 43069999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).