ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate

C15H19N5O3 — CID 46429270

IUPACethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1cnn(-c2ccccn2)c1C(C)C
InChIInChI=1S/C15H19N5O3/c1-4-23-15(22)19-18-14(21)11-9-17-20(13(11)10(2)3)12-7-5-6-8-16-12/h5-10H,4H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyBTTMNBJSQNJQKK-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.78
Rot. Bonds4

About ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate

ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate (PubChem CID 46429270) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate
PubChem CID46429270
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Nameethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1cnn(-c2ccccn2)c1C(C)C
InChIInChI=1S/C15H19N5O3/c1-4-23-15(22)19-18-14(21)11-9-17-20(13(11)10(2)3)12-7-5-6-8-16-12/h5-10H,4H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyBTTMNBJSQNJQKK-UHFFFAOYSA-N
XLogP1.78
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.78
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-(ethoxymethyl)phenyl]methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38008796
benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate
CID 43069999
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide
CID 46426896
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 43070019
N-[(2-ethoxy-3-pyridinyl)methyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46426796
N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 43070233
N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 43070399
N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900
N'-[2-(3-bromophenoxy)propanoyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 55649412
N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 46426954
5-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55651429
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate?
The IUPAC name of ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate (CID 46429270) is ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate.
What is the SMILES notation for ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate?
The canonical SMILES for ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate is CCOC(=O)NNC(=O)c1cnn(-c2ccccn2)c1C(C)C.
What is the InChIKey of ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate?
The InChIKey is BTTMNBJSQNJQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-4-23-15(22)19-18-14(21)11-9-17-20(13(11)10(2)3)12-7-5-6-8-16-12/h5-10H,4H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate?
ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate has a molecular weight of 317.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate is sourced from PubChem (CID 46429270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).