1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide

C18H23N3O3 — CID 91776232

IUPAC1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C18H23N3O3/c1-13-15(10-21(2)20-13)18(22)19-16-12-23-9-8-17(16)24-11-14-6-4-3-5-7-14/h3-7,10,16-17H,8-9,11-12H2,1-2H3,(H,19,22)/t16-,17+/m1/s1
InChIKeyKSEQWKSFNMJWTP-SJORKVTESA-N
MW329.40 g/mol
LogP1.83
Rot. Bonds5

About 1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide

1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide (PubChem CID 91776232) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
PubChem CID91776232
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C18H23N3O3/c1-13-15(10-21(2)20-13)18(22)19-16-12-23-9-8-17(16)24-11-14-6-4-3-5-7-14/h3-7,10,16-17H,8-9,11-12H2,1-2H3,(H,19,22)/t16-,17+/m1/s1
InChIKeyKSEQWKSFNMJWTP-SJORKVTESA-N
XLogP1.83
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
CID 91777487
5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide
CID 91776631
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-2-(1,2,4-triazol-4-yl)acetamide
CID 91765784
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 91763615
1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide
CID 91765488
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
CID 91797210
4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
CID 91781998
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-pyrazole-5-carboxamide
CID 91780512
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 91830789
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide
CID 91767554
2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91785233
N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 104927400

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide (CID 91776232) is 1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide?
The InChIKey is KSEQWKSFNMJWTP-SJORKVTESA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-15(10-21(2)20-13)18(22)19-16-12-23-9-8-17(16)24-11-14-6-4-3-5-7-14/h3-7,10,16-17H,8-9,11-12H2,1-2H3,(H,19,22)/t16-,17+/m1/s1.
What are the key properties of 1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide?
1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 91776232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).