3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide

C17H19N5O2 — CID 19508977

IUPAC3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCn3cccn3)[nH]n2)cc1
InChIInChI=1S/C17H19N5O2/c1-24-14-6-4-13(5-7-14)15-12-16(21-20-15)17(23)18-8-2-10-22-11-3-9-19-22/h3-7,9,11-12H,2,8,10H2,1H3,(H,18,23)(H,20,21)
InChIKeyPJZQGCDSLXCZPL-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.10
Rot. Bonds7

About 3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide

3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide (PubChem CID 19508977) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
PubChem CID19508977
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCn3cccn3)[nH]n2)cc1
InChIInChI=1S/C17H19N5O2/c1-24-14-6-4-13(5-7-14)15-12-16(21-20-15)17(23)18-8-2-10-22-11-3-9-19-22/h3-7,9,11-12H,2,8,10H2,1H3,(H,18,23)(H,20,21)
InChIKeyPJZQGCDSLXCZPL-UHFFFAOYSA-N
XLogP2.10
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.10
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-(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
4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 72910598
N-[4-(azepan-1-yl)butyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70712358
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70721553
2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115579282
3-(2,4-dichlorophenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19510199
N-[2-(diethylamino)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508966
N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97126657
3-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19509808
N-[2-(2-hydroxyethoxy)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71713187
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide (CID 19508977) is 3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCCCn3cccn3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PJZQGCDSLXCZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-24-14-6-4-13(5-7-14)15-12-16(21-20-15)17(23)18-8-2-10-22-11-3-9-19-22/h3-7,9,11-12H,2,8,10H2,1H3,(H,18,23)(H,20,21).
What are the key properties of 3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19508977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).