2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide

C17H21N3O3 — CID 91777487

IUPAC2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C17H21N3O3/c1-20-15(7-9-18-20)17(21)19-14-12-22-10-8-16(14)23-11-13-5-3-2-4-6-13/h2-7,9,14,16H,8,10-12H2,1H3,(H,19,21)/t14-,16+/m1/s1
InChIKeyKYQPOCLJVDNZAS-ZBFHGGJFSA-N
MW315.37 g/mol
LogP1.52
Rot. Bonds5

About 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide

2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide (PubChem CID 91777487) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
PubChem CID91777487
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C17H21N3O3/c1-20-15(7-9-18-20)17(21)19-14-12-22-10-8-16(14)23-11-13-5-3-2-4-6-13/h2-7,9,14,16H,8,10-12H2,1H3,(H,19,21)/t14-,16+/m1/s1
InChIKeyKYQPOCLJVDNZAS-ZBFHGGJFSA-N
XLogP1.52
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232
1-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]indole-2-carboxamide
CID 91765488
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
5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide
CID 91776631
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
CID 91797210
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
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrrolidine-1-carboxamide
CID 91830789
2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91785233
2-[methyl(propan-2-yl)amino]-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91760455
2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide
CID 91769972

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide (CID 91777487) is 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide is Cn1nccc1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide?
The InChIKey is KYQPOCLJVDNZAS-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-20-15(7-9-18-20)17(21)19-14-12-22-10-8-16(14)23-11-13-5-3-2-4-6-13/h2-7,9,14,16H,8,10-12H2,1H3,(H,19,21)/t14-,16+/m1/s1.
What are the key properties of 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide?
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 91777487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).