methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate

C21H22N4O3 — CID 78890376

IUPACmethyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
SMILESCCc1c(C(=O)Nc2ccc(NC(=O)OC)cc2)cnn1Cc1ccccc1
InChIInChI=1S/C21H22N4O3/c1-3-19-18(13-22-25(19)14-15-7-5-4-6-8-15)20(26)23-16-9-11-17(12-10-16)24-21(27)28-2/h4-13H,3,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyQKWXICAPOROSFE-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.92
Rot. Bonds6

About methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate

methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate (PubChem CID 78890376) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
PubChem CID78890376
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Namemethyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
SMILESCCc1c(C(=O)Nc2ccc(NC(=O)OC)cc2)cnn1Cc1ccccc1
InChIInChI=1S/C21H22N4O3/c1-3-19-18(13-22-25(19)14-15-7-5-4-6-8-15)20(26)23-16-9-11-17(12-10-16)24-21(27)28-2/h4-13H,3,14H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyQKWXICAPOROSFE-UHFFFAOYSA-N
XLogP3.92
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873610
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide
CID 78873269
1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873511
1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
CID 78874152
1-benzyl-5-ethyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 78887495
1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78889307
1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 78873277
1-benzyl-5-ethyl-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrazole-4-carboxamide
CID 78876541
1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873492
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 112827142

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate (CID 78890376) is methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate is CCc1c(C(=O)Nc2ccc(NC(=O)OC)cc2)cnn1Cc1ccccc1.
What is the InChIKey of methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate?
The InChIKey is QKWXICAPOROSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-19-18(13-22-25(19)14-15-7-5-4-6-8-15)20(26)23-16-9-11-17(12-10-16)24-21(27)28-2/h4-13H,3,14H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate?
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate has a molecular weight of 378.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 78890376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).