ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate

C18H17N5O3 — CID 51218944

IUPACethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C18H17N5O3/c1-2-26-18(25)21-20-17(24)15-12-23(14-8-4-3-5-9-14)22-16(15)13-7-6-10-19-11-13/h3-12H,2H2,1H3,(H,20,24)(H,21,25)
InChIKeyYNOLSJZKIUNMGL-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.33
Rot. Bonds4

About ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate

ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate (PubChem CID 51218944) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
PubChem CID51218944
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Nameethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C18H17N5O3/c1-2-26-18(25)21-20-17(24)15-12-23(14-8-4-3-5-9-14)22-16(15)13-7-6-10-19-11-13/h3-12H,2H2,1H3,(H,20,24)(H,21,25)
InChIKeyYNOLSJZKIUNMGL-UHFFFAOYSA-N
XLogP2.33
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 46657487
ethyl (E)-3-[4-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]phenyl]prop-2-enoate
CID 46649884
1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 27568435
N-[2-(dimethylamino)-2-oxoethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9480578
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 25442499
N-(2,3-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8714286
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 24598227
N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8712640

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate?
The IUPAC name of ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate (CID 51218944) is ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate.
What is the SMILES notation for ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate?
The canonical SMILES for ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate is CCOC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate?
The InChIKey is YNOLSJZKIUNMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-2-26-18(25)21-20-17(24)15-12-23(14-8-4-3-5-9-14)22-16(15)13-7-6-10-19-11-13/h3-12H,2H2,1H3,(H,20,24)(H,21,25).
What are the key properties of ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate?
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate has a molecular weight of 351.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate is sourced from PubChem (CID 51218944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).