N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide

C26H27N3O2 — CID 47023769

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1cccc2ccccc12
InChIInChI=1S/C26H27N3O2/c1-19-24(20(2)29(27-19)22-12-5-4-6-13-22)18-28(3)26(30)16-17-31-25-15-9-11-21-10-7-8-14-23(21)25/h4-15H,16-18H2,1-3H3
InChIKeyNRDNFPHUBKHTTE-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.07
Rot. Bonds7

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide (PubChem CID 47023769) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide
PubChem CID47023769
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1cccc2ccccc12
InChIInChI=1S/C26H27N3O2/c1-19-24(20(2)29(27-19)22-12-5-4-6-13-22)18-28(3)26(30)16-17-31-25-15-9-11-21-10-7-8-14-23(21)25/h4-15H,16-18H2,1-3H3
InChIKeyNRDNFPHUBKHTTE-UHFFFAOYSA-N
XLogP5.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
CID 60521825
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 9140506
2-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethoxy]benzamide
CID 8531793
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,3-trimethylbutanamide
CID 78799265
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8531865
(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide
CID 9140685
tert-butyl N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]carbamate
CID 31794007
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 33214740
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39442300
2-benzhydryloxy-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763735
2-(4-acetylphenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 26029314
2-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 78807072

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide (CID 47023769) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1cccc2ccccc12.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide?
The InChIKey is NRDNFPHUBKHTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19-24(20(2)29(27-19)22-12-5-4-6-13-22)18-28(3)26(30)16-17-31-25-15-9-11-21-10-7-8-14-23(21)25/h4-15H,16-18H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide has a molecular weight of 413.52 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-naphthalen-1-yloxypropanamide is sourced from PubChem (CID 47023769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).