3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide

C17H21N3O3 — CID 136587679

IUPAC3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide
SMILESCOc1nn(C)cc1CNC(=O)C1(c2ccccc2)CC(O)C1
InChIInChI=1S/C17H21N3O3/c1-20-11-12(15(19-20)23-2)10-18-16(22)17(8-14(21)9-17)13-6-4-3-5-7-13/h3-7,11,14,21H,8-10H2,1-2H3,(H,18,22)
InChIKeyWHLGDTGCSFBVIV-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.14
Rot. Bonds5

About 3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide

3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 136587679) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID136587679
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide
SMILESCOc1nn(C)cc1CNC(=O)C1(c2ccccc2)CC(O)C1
InChIInChI=1S/C17H21N3O3/c1-20-11-12(15(19-20)23-2)10-18-16(22)17(8-14(21)9-17)13-6-4-3-5-7-13/h3-7,11,14,21H,8-10H2,1-2H3,(H,18,22)
InChIKeyWHLGDTGCSFBVIV-UHFFFAOYSA-N
XLogP1.14
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide (CID 136587679) is 3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide is COc1nn(C)cc1CNC(=O)C1(c2ccccc2)CC(O)C1.
What is the InChIKey of 3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is WHLGDTGCSFBVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-20-11-12(15(19-20)23-2)10-18-16(22)17(8-14(21)9-17)13-6-4-3-5-7-13/h3-7,11,14,21H,8-10H2,1-2H3,(H,18,22).
What are the key properties of 3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide?
3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 136587679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).