ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate

C16H19N5O3 — CID 6114072

IUPACethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1ccc(NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C16H19N5O3/c1-4-24-16(23)20-19-11(2)12-5-7-13(8-6-12)18-15(22)14-9-10-17-21(14)3/h5-10H,4H2,1-3H3,(H,18,22)(H,20,23)/b19-11-
InChIKeyHWFULRHVUZLQSI-ODLFYWEKSA-N
MW329.36 g/mol
LogP2.14
Rot. Bonds5

About ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate

ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate (PubChem CID 6114072) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate
PubChem CID6114072
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Nameethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate
SMILESCCOC(=O)N/N=C(/C)c1ccc(NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C16H19N5O3/c1-4-24-16(23)20-19-11(2)12-5-7-13(8-6-12)18-15(22)14-9-10-17-21(14)3/h5-10H,4H2,1-3H3,(H,18,22)(H,20,23)/b19-11-
InChIKeyHWFULRHVUZLQSI-ODLFYWEKSA-N
XLogP2.14
TPSA97.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate
CID 3468534
N-[4-[(E)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 40565634
N-[4-[(Z)-N-(1,3-benzodioxole-5-carbonylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 6089356
2-methyl-N-[(E)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 45133713
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
CID 2739255
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
N-[4-[N-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 1227818
ethyl N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]carbamate
CID 9075932
N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 17338244

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate?
The IUPAC name of ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate (CID 6114072) is ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate is CCOC(=O)N/N=C(/C)c1ccc(NC(=O)c2ccnn2C)cc1.
What is the InChIKey of ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate?
The InChIKey is HWFULRHVUZLQSI-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-4-24-16(23)20-19-11(2)12-5-7-13(8-6-12)18-15(22)14-9-10-17-21(14)3/h5-10H,4H2,1-3H3,(H,18,22)(H,20,23)/b19-11-.
What are the key properties of ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate?
ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate has a molecular weight of 329.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate is sourced from PubChem (CID 6114072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).