1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide

C18H21N5O2 — CID 70737872

IUPAC1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N(C)Cc2cnn(-c3cccc(OC)c3)c2)n1
InChIInChI=1S/C18H21N5O2/c1-4-22-9-8-17(20-22)18(24)21(2)12-14-11-19-23(13-14)15-6-5-7-16(10-15)25-3/h5-11,13H,4,12H2,1-3H3
InChIKeyQFXPLRWKHKVLJK-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.37
Rot. Bonds6

About 1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide

1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 70737872) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide
PubChem CID70737872
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)N(C)Cc2cnn(-c3cccc(OC)c3)c2)n1
InChIInChI=1S/C18H21N5O2/c1-4-22-9-8-17(20-22)18(24)21(2)12-14-11-19-23(13-14)15-6-5-7-16(10-15)25-3/h5-11,13H,4,12H2,1-3H3
InChIKeyQFXPLRWKHKVLJK-UHFFFAOYSA-N
XLogP2.37
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide (CID 70737872) is 1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide is CCn1ccc(C(=O)N(C)Cc2cnn(-c3cccc(OC)c3)c2)n1.
What is the InChIKey of 1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is QFXPLRWKHKVLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-4-22-9-8-17(20-22)18(24)21(2)12-14-11-19-23(13-14)15-6-5-7-16(10-15)25-3/h5-11,13H,4,12H2,1-3H3.
What are the key properties of 1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide?
1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 70737872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).