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

C15H17N5O3 — CID 3468534

IUPACmethyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate
SMILESCOC(=O)NN=C(C)c1ccc(NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C15H17N5O3/c1-10(18-19-15(22)23-3)11-4-6-12(7-5-11)17-14(21)13-8-9-16-20(13)2/h4-9H,1-3H3,(H,17,21)(H,19,22)
InChIKeyJSOYGAQRCHKUDY-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.75
Rot. Bonds4

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

methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate (PubChem CID 3468534) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate
PubChem CID3468534
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Namemethyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate
SMILESCOC(=O)NN=C(C)c1ccc(NC(=O)c2ccnn2C)cc1
InChIInChI=1S/C15H17N5O3/c1-10(18-19-15(22)23-3)11-4-6-12(7-5-11)17-14(21)13-8-9-16-20(13)2/h4-9H,1-3H3,(H,17,21)(H,19,22)
InChIKeyJSOYGAQRCHKUDY-UHFFFAOYSA-N
XLogP1.75
TPSA97.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.75
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

ethyl N-[(Z)-1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate
CID 6114072
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-[N-[(3,4-dichloro-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 1227818
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-[3-[(E)-N-(2,2-dimethylpropanoylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 17338244
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
2-methyl-N-[3-[(Z)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyrazole-3-carboxamide
CID 6006005

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate?
The IUPAC name of methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate (CID 3468534) is methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate.
What is the SMILES notation for methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate?
The canonical SMILES for methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate is COC(=O)NN=C(C)c1ccc(NC(=O)c2ccnn2C)cc1.
What is the InChIKey of methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate?
The InChIKey is JSOYGAQRCHKUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10(18-19-15(22)23-3)11-4-6-12(7-5-11)17-14(21)13-8-9-16-20(13)2/h4-9H,1-3H3,(H,17,21)(H,19,22).
What are the key properties of methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate?
methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate has a molecular weight of 315.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate is sourced from PubChem (CID 3468534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).