N-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide

C18H21N5O2 — CID 156584285

IUPACN-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESCCOc1ccc(-c2cc(NC(=O)C(C)Cn3cccn3)n[nH]2)cc1
InChIInChI=1S/C18H21N5O2/c1-3-25-15-7-5-14(6-8-15)16-11-17(22-21-16)20-18(24)13(2)12-23-10-4-9-19-23/h4-11,13H,3,12H2,1-2H3,(H2,20,21,22,24)
InChIKeyFGOLLTPUJBQQKI-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.95
Rot. Bonds7

About N-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide

N-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide (PubChem CID 156584285) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide
PubChem CID156584285
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESCCOc1ccc(-c2cc(NC(=O)C(C)Cn3cccn3)n[nH]2)cc1
InChIInChI=1S/C18H21N5O2/c1-3-25-15-7-5-14(6-8-15)16-11-17(22-21-16)20-18(24)13(2)12-23-10-4-9-19-23/h4-11,13H,3,12H2,1-2H3,(H2,20,21,22,24)
InChIKeyFGOLLTPUJBQQKI-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloropyrazol-1-yl)-2-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 75358524
2-methyl-N-(1-methylimidazol-2-yl)-3-pyrazol-1-ylpropanamide
CID 134714430
2-naphthalen-2-yloxy-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 110281072
4-(4-ethoxyphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-oxobutanamide
CID 51951673
2-[(2-hydroxy-3-methylbutanoyl)amino]-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
CID 90913079
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632
2-methyl-N-[5-(3-methylphenyl)-1H-pyrazol-3-yl]propanamide
CID 139318660
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 60515248
2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131905264
3-(3-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide
CID 70750427
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-2-oxopropanamide
CID 110478313

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide (CID 156584285) is N-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide is CCOc1ccc(-c2cc(NC(=O)C(C)Cn3cccn3)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide?
The InChIKey is FGOLLTPUJBQQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-25-15-7-5-14(6-8-15)16-11-17(22-21-16)20-18(24)13(2)12-23-10-4-9-19-23/h4-11,13H,3,12H2,1-2H3,(H2,20,21,22,24).
What are the key properties of N-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide?
N-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide has a molecular weight of 339.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethoxyphenyl)-1H-pyrazol-3-yl]-2-methyl-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 156584285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).