(3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide

C20H17N3O — CID 929511

IUPAC(3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1N=CC[C@@H]1c1ccccc1
InChIInChI=1S/C20H17N3O/c24-20(22-18-12-6-10-15-7-4-5-11-17(15)18)23-19(13-14-21-23)16-8-2-1-3-9-16/h1-12,14,19H,13H2,(H,22,24)/t19-/m1/s1
InChIKeyJASHXIGPEHHYSO-LJQANCHMSA-N
MW315.38 g/mol
LogP4.80
Rot. Bonds2

About (3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide

(3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 929511) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is (3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name(3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID929511
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name(3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1N=CC[C@@H]1c1ccccc1
InChIInChI=1S/C20H17N3O/c24-20(22-18-12-6-10-15-7-4-5-11-17(15)18)23-19(13-14-21-23)16-8-2-1-3-9-16/h1-12,14,19H,13H2,(H,22,24)/t19-/m1/s1
InChIKeyJASHXIGPEHHYSO-LJQANCHMSA-N
XLogP4.80
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2-ethylphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 943241
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
N-(3-chlorophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 23050901
3-(naphthalen-1-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549777
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide
CID 3406241
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
(1R)-N-naphthalen-1-yl-2-phenylcyclobutane-1-carboxamide
CID 146488931
(2R,3R)-1-methyl-N-naphthalen-1-yl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29130811
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
CID 23140557
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059

Frequently Asked Questions

What is the IUPAC name of (3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of (3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 929511) is (3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for (3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for (3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1cccc2ccccc12)N1N=CC[C@@H]1c1ccccc1.
What is the InChIKey of (3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is JASHXIGPEHHYSO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H17N3O/c24-20(22-18-12-6-10-15-7-4-5-11-17(15)18)23-19(13-14-21-23)16-8-2-1-3-9-16/h1-12,14,19H,13H2,(H,22,24)/t19-/m1/s1.
What are the key properties of (3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
(3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-naphthalen-1-yl-3-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 929511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).