3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide

C18H21N5O2 — CID 19509808

IUPAC3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCCn3nccc3C)[nH]n2)c1
InChIInChI=1S/C18H21N5O2/c1-13-7-9-20-23(13)10-4-8-19-18(24)17-12-16(21-22-17)14-5-3-6-15(11-14)25-2/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyXYSUSHHUOACXCH-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.41
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide

3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 19509808) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
PubChem CID19509808
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCCn3nccc3C)[nH]n2)c1
InChIInChI=1S/C18H21N5O2/c1-13-7-9-20-23(13)10-4-8-19-18(24)17-12-16(21-22-17)14-5-3-6-15(11-14)25-2/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyXYSUSHHUOACXCH-UHFFFAOYSA-N
XLogP2.41
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121059097
3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
CID 70776702
3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19508977
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19294391
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70770906
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121120033
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121116137
3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327875
3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747
3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19513164
N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide (CID 19509808) is 3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCCCn3nccc3C)[nH]n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XYSUSHHUOACXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-7-9-20-23(13)10-4-8-19-18(24)17-12-16(21-22-17)14-5-3-6-15(11-14)25-2/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,19,24)(H,21,22).
What are the key properties of 3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).