tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate

C23H26N4O4 — CID 170596502

IUPACtert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccc(NC(=O)OC(C)(C)C)cc3)nn2C)cc1
InChIInChI=1S/C23H26N4O4/c1-23(2,3)31-22(29)24-17-10-6-15(7-11-17)19-14-20(27(4)26-19)25-21(28)16-8-12-18(30-5)13-9-16/h6-14H,1-5H3,(H,24,29)(H,25,28)
InChIKeyQVBCUEQLSQPIBJ-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.70
Rot. Bonds5

About tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate

tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate (PubChem CID 170596502) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate
PubChem CID170596502
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Nametert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccc(NC(=O)OC(C)(C)C)cc3)nn2C)cc1
InChIInChI=1S/C23H26N4O4/c1-23(2,3)31-22(29)24-17-10-6-15(7-11-17)19-14-20(27(4)26-19)25-21(28)16-8-12-18(30-5)13-9-16/h6-14H,1-5H3,(H,24,29)(H,25,28)
InChIKeyQVBCUEQLSQPIBJ-UHFFFAOYSA-N
XLogP4.70
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]pyrimidine-5-carboxamide
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CID 46964110
N-[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 170346252
N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-4-(4-prop-2-ynoxybenzoyl)benzamide
CID 170346312
methyl 3-[[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]carbamoyl]benzoate
CID 170346238
tert-butyl N-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]phenyl]carbamate
CID 55414687
tert-butyl N-[4-[4-[(3-bromo-1-methylpyrazol-5-yl)methylcarbamoyl]phenyl]phenyl]carbamate
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tert-butyl N-[4-[(2-butoxy-5-methoxyphenyl)carbamoyl]phenyl]carbamate
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tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065
2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide
CID 176857987
tert-butyl N-[4-[4-[[2-(4-methoxyanilino)acetyl]amino]phenyl]-1,3-thiazol-2-yl]carbamate
CID 87952172
tert-butyl N-[3-[(4-methoxybenzoyl)amino]-4-pyridinyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate (CID 170596502) is tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate is COc1ccc(C(=O)Nc2cc(-c3ccc(NC(=O)OC(C)(C)C)cc3)nn2C)cc1.
What is the InChIKey of tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate?
The InChIKey is QVBCUEQLSQPIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-23(2,3)31-22(29)24-17-10-6-15(7-11-17)19-14-20(27(4)26-19)25-21(28)16-8-12-18(30-5)13-9-16/h6-14H,1-5H3,(H,24,29)(H,25,28).
What are the key properties of tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate?
tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate has a molecular weight of 422.49 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[5-[(4-methoxybenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamate is sourced from PubChem (CID 170596502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).