N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide

C13H14N4O — CID 175937897

IUPACN-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1n[nH]c(-c2ccncc2)c1CC
InChIInChI=1S/C13H14N4O/c1-3-10-12(9-5-7-14-8-6-9)16-17-13(10)15-11(18)4-2/h4-8H,2-3H2,1H3,(H2,15,16,17,18)
InChIKeyLZMRARDNTCQAMK-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.16
Rot. Bonds4

About N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide

N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 175937897) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID175937897
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1n[nH]c(-c2ccncc2)c1CC
InChIInChI=1S/C13H14N4O/c1-3-10-12(9-5-7-14-8-6-9)16-17-13(10)15-11(18)4-2/h4-8H,2-3H2,1H3,(H2,15,16,17,18)
InChIKeyLZMRARDNTCQAMK-UHFFFAOYSA-N
XLogP2.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide (CID 175937897) is N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide is C=CC(=O)Nc1n[nH]c(-c2ccncc2)c1CC.
What is the InChIKey of N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is LZMRARDNTCQAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-3-10-12(9-5-7-14-8-6-9)16-17-13(10)15-11(18)4-2/h4-8H,2-3H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 175937897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).