N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide

C20H19N3O2 — CID 22176712

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide
SMILESC=C(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H19N3O2/c1-12(20(24)21-19-11-18(22-23-19)13-3-4-13)14-5-6-16-10-17(25-2)8-7-15(16)9-14/h5-11,13H,1,3-4H2,2H3,(H2,21,22,23,24)
InChIKeyDQPQKTJJUJKJGL-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.10
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide (PubChem CID 22176712) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide
PubChem CID22176712
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide
SMILESC=C(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H19N3O2/c1-12(20(24)21-19-11-18(22-23-19)13-3-4-13)14-5-6-16-10-17(25-2)8-7-15(16)9-14/h5-11,13H,1,3-4H2,2H3,(H2,21,22,23,24)
InChIKeyDQPQKTJJUJKJGL-UHFFFAOYSA-N
XLogP4.10
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.10
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-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide (CID 22176712) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide is C=C(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide?
The InChIKey is DQPQKTJJUJKJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12(20(24)21-19-11-18(22-23-19)13-3-4-13)14-5-6-16-10-17(25-2)8-7-15(16)9-14/h5-11,13H,1,3-4H2,2H3,(H2,21,22,23,24).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide has a molecular weight of 333.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(6-methoxynaphthalen-2-yl)prop-2-enamide is sourced from PubChem (CID 22176712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).