N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

C22H23N3O3 — CID 19273323

IUPACN-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C22H23N3O3/c26-22(23-15-20-7-4-14-27-20)21-12-13-25(24-21)16-28-19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-13,20H,4,7,14-16H2,(H,23,26)
InChIKeyDDFDKKGZJCGEKT-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.50
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19273323) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19273323
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C22H23N3O3/c26-22(23-15-20-7-4-14-27-20)21-12-13-25(24-21)16-28-19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-13,20H,4,7,14-16H2,(H,23,26)
InChIKeyDDFDKKGZJCGEKT-UHFFFAOYSA-N
XLogP3.50
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
1-[(5-fluoro-2-nitrophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19280431
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-(3-imidazol-1-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325611
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
CID 100816447
N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide
CID 146131521
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
CID 31883567
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 35327127
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-(cyclopropylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 95756236

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide (CID 19273323) is N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is O=C(NCC1CCCO1)c1ccn(COc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is DDFDKKGZJCGEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-22(23-15-20-7-4-14-27-20)21-12-13-25(24-21)16-28-19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-3,5-6,8-13,20H,4,7,14-16H2,(H,23,26).
What are the key properties of N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide?
N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19273323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).