N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

C17H21N3O4 — CID 136587613

IUPACN-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@@H]3COCC[C@H]3OC)[nH]n2)c1
InChIInChI=1S/C17H21N3O4/c1-22-12-5-3-4-11(8-12)13-9-14(20-19-13)17(21)18-15-10-24-7-6-16(15)23-2/h3-5,8-9,15-16H,6-7,10H2,1-2H3,(H,18,21)(H,19,20)/t15-,16-/m1/s1
InChIKeyPBNXUTLZUUSAOA-HZPDHXFCSA-N
MW331.37 g/mol
LogP1.62
Rot. Bonds5

About N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 136587613) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID136587613
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@@H]3COCC[C@H]3OC)[nH]n2)c1
InChIInChI=1S/C17H21N3O4/c1-22-12-5-3-4-11(8-12)13-9-14(20-19-13)17(21)18-15-10-24-7-6-16(15)23-2/h3-5,8-9,15-16H,6-7,10H2,1-2H3,(H,18,21)(H,19,20)/t15-,16-/m1/s1
InChIKeyPBNXUTLZUUSAOA-HZPDHXFCSA-N
XLogP1.62
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136587643
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722
N-(2,3-dihydro-1-benzofuran-3-yl)-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 126802489
(4-aminopiperidin-1-yl)-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 66485063
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
3-phenyl-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]-1H-pyrazole-5-carboxamide
CID 91779690
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97110219
methyl 4-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-1-methylpyrazole-3-carboxylate
CID 19341664
N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509714
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91766384
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 97115765

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 136587613) is N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)N[C@@H]3COCC[C@H]3OC)[nH]n2)c1.
What is the InChIKey of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PBNXUTLZUUSAOA-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-22-12-5-3-4-11(8-12)13-9-14(20-19-13)17(21)18-15-10-24-7-6-16(15)23-2/h3-5,8-9,15-16H,6-7,10H2,1-2H3,(H,18,21)(H,19,20)/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxyoxan-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136587613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).