ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate

C19H26N4O3 — CID 21369347

IUPACethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate
SMILESCCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)OCC)cc2)c1C
InChIInChI=1S/C19H26N4O3/c1-5-7-12-23-14(4)17(13(3)22-23)21-18(24)15-8-10-16(11-9-15)20-19(25)26-6-2/h8-11H,5-7,12H2,1-4H3,(H,20,25)(H,21,24)
InChIKeyRYOVEPXZRZKRBD-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.12
Rot. Bonds7

About ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate

ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate (PubChem CID 21369347) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate
PubChem CID21369347
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Nameethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate
SMILESCCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)OCC)cc2)c1C
InChIInChI=1S/C19H26N4O3/c1-5-7-12-23-14(4)17(13(3)22-23)21-18(24)15-8-10-16(11-9-15)20-19(25)26-6-2/h8-11H,5-7,12H2,1-4H3,(H,20,25)(H,21,24)
InChIKeyRYOVEPXZRZKRBD-UHFFFAOYSA-N
XLogP4.12
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide
CID 21369322
4-[[(E)-but-2-enoyl]amino]-N-(1-butyl-3,5-dimethylpyrazol-4-yl)benzamide
CID 21369339
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide
CID 21369305
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide
CID 21369355
N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide
CID 21369352
N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 21369398
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide
CID 21369441
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19337872
ethyl N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9038153
[2-(4-acetamidophenyl)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 7978522
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethylbenzamide
CID 19338051

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate (CID 21369347) is ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate is CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)OCC)cc2)c1C.
What is the InChIKey of ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate?
The InChIKey is RYOVEPXZRZKRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-5-7-12-23-14(4)17(13(3)22-23)21-18(24)15-8-10-16(11-9-15)20-19(25)26-6-2/h8-11H,5-7,12H2,1-4H3,(H,20,25)(H,21,24).
What are the key properties of ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate?
ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate has a molecular weight of 358.44 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 21369347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).