1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide

C18H22N4O3 — CID 146148732

IUPAC1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCc2ccc(CNC(=O)C3CCOC3)cc2)n1
InChIInChI=1S/C18H22N4O3/c1-22-8-6-16(21-22)18(24)20-11-14-4-2-13(3-5-14)10-19-17(23)15-7-9-25-12-15/h2-6,8,15H,7,9-12H2,1H3,(H,19,23)(H,20,24)
InChIKeyODMRCHLIDOGOLV-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.00
Rot. Bonds6

About 1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide

1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 146148732) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide
PubChem CID146148732
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCc2ccc(CNC(=O)C3CCOC3)cc2)n1
InChIInChI=1S/C18H22N4O3/c1-22-8-6-16(21-22)18(24)20-11-14-4-2-13(3-5-14)10-19-17(23)15-7-9-25-12-15/h2-6,8,15H,7,9-12H2,1H3,(H,19,23)(H,20,24)
InChIKeyODMRCHLIDOGOLV-UHFFFAOYSA-N
XLogP1.00
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide
CID 122274513
1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
CID 168910444
(3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide
CID 170159066
N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]oxolane-3-carboxamide
CID 118780297
N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103121252
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]oxolane-3-carboxamide
CID 71918324
(3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide
CID 95100451
2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone
CID 82868765
N-[(4-methoxyphenyl)methyl]oxane-3-carboxamide
CID 110851625
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide (CID 146148732) is 1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide is Cn1ccc(C(=O)NCc2ccc(CNC(=O)C3CCOC3)cc2)n1.
What is the InChIKey of 1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is ODMRCHLIDOGOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-22-8-6-16(21-22)18(24)20-11-14-4-2-13(3-5-14)10-19-17(23)15-7-9-25-12-15/h2-6,8,15H,7,9-12H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide?
1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146148732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).