N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide

C19H25N3O4 — CID 155996402

IUPACN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
SMILESCCCN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C19H25N3O4/c1-2-9-22(16-12-26-13-17(23)18(16)24)19(25)15-6-4-14(5-7-15)11-21-10-3-8-20-21/h3-8,10,16-18,23-24H,2,9,11-13H2,1H3/t16-,17-,18+/m1/s1
InChIKeyCRMBYFUBQBSYFS-KURKYZTESA-N
MW359.43 g/mol
LogP0.90
Rot. Bonds6

About N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide

N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 155996402) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID155996402
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
SMILESCCCN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C19H25N3O4/c1-2-9-22(16-12-26-13-17(23)18(16)24)19(25)15-6-4-14(5-7-15)11-21-10-3-8-20-21/h3-8,10,16-18,23-24H,2,9,11-13H2,1H3/t16-,17-,18+/m1/s1
InChIKeyCRMBYFUBQBSYFS-KURKYZTESA-N
XLogP0.90
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 166191819
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide
CID 155996445
2-[cyclopropyl-[4-(pyrazol-1-ylmethyl)benzoyl]amino]acetic acid
CID 119194650
N-[[(3R,4S,5R)-4-hydroxy-5-methoxyoxan-3-yl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 155996126
N-methyl-4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 68766913
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 31984715
4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66254149
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 119824042
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55502855
N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55897549

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide (CID 155996402) is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide is CCCN(C(=O)c1ccc(Cn2cccn2)cc1)[C@@H]1COC[C@@H](O)[C@H]1O.
What is the InChIKey of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is CRMBYFUBQBSYFS-KURKYZTESA-N. The full InChI is InChI=1S/C19H25N3O4/c1-2-9-22(16-12-26-13-17(23)18(16)24)19(25)15-6-4-14(5-7-15)11-21-10-3-8-20-21/h3-8,10,16-18,23-24H,2,9,11-13H2,1H3/t16-,17-,18+/m1/s1.
What are the key properties of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide?
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 359.43 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 155996402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).