N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide

C18H17N3O — CID 5331008

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)13-8-9-13)10-14-6-3-5-12-4-1-2-7-15(12)14/h1-7,11,13H,8-10H2,(H2,19,20,21,22)
InChIKeyATTMEZRDDPAMBY-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.62
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide (PubChem CID 5331008) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide
PubChem CID5331008
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)13-8-9-13)10-14-6-3-5-12-4-1-2-7-15(12)14/h1-7,11,13H,8-10H2,(H2,19,20,21,22)
InChIKeyATTMEZRDDPAMBY-UHFFFAOYSA-N
XLogP3.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide (CID 5331008) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is ATTMEZRDDPAMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)13-8-9-13)10-14-6-3-5-12-4-1-2-7-15(12)14/h1-7,11,13H,8-10H2,(H2,19,20,21,22).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 291.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 5331008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).