N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide

C17H21N3O3 — CID 111445526

IUPACN-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)NCC2(O)CCC2)n1
InChIInChI=1S/C17H21N3O3/c1-12-4-5-15(23-2)14(10-12)20-9-6-13(19-20)16(21)18-11-17(22)7-3-8-17/h4-6,9-10,22H,3,7-8,11H2,1-2H3,(H,18,21)
InChIKeyDFITWPSWCFSLKT-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.83
Rot. Bonds5

About N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide

N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide (PubChem CID 111445526) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
PubChem CID111445526
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)NCC2(O)CCC2)n1
InChIInChI=1S/C17H21N3O3/c1-12-4-5-15(23-2)14(10-12)20-9-6-13(19-20)16(21)18-11-17(22)7-3-8-17/h4-6,9-10,22H,3,7-8,11H2,1-2H3,(H,18,21)
InChIKeyDFITWPSWCFSLKT-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
CID 119430412
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide
CID 48652307
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 120948333
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 110907831
N-[(3R)-3-cyanothiolan-3-yl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 95239426
1-(2-methoxy-5-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 86848010
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48650473
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 86848028
N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 119475309
2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119195396
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48672285
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48692037

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide (CID 111445526) is N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide is COc1ccc(C)cc1-n1ccc(C(=O)NCC2(O)CCC2)n1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is DFITWPSWCFSLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-4-5-15(23-2)14(10-12)20-9-6-13(19-20)16(21)18-11-17(22)7-3-8-17/h4-6,9-10,22H,3,7-8,11H2,1-2H3,(H,18,21).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 111445526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).