1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide

C16H18N4O2 — CID 135319024

IUPAC1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)n(Cc2ccccc2)n1
InChIInChI=1S/C16H18N4O2/c1-17-15(21)13-9-14(16(22)18-12-7-8-12)20(19-13)10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,17,21)(H,18,22)
InChIKeyHSYFSGUXNLQCQP-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.18
Rot. Bonds5

About 1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide

1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide (PubChem CID 135319024) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide
PubChem CID135319024
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)n(Cc2ccccc2)n1
InChIInChI=1S/C16H18N4O2/c1-17-15(21)13-9-14(16(22)18-12-7-8-12)20(19-13)10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,17,21)(H,18,22)
InChIKeyHSYFSGUXNLQCQP-UHFFFAOYSA-N
XLogP1.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide (CID 135319024) is 1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide?
The InChIKey is HSYFSGUXNLQCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-17-15(21)13-9-14(16(22)18-12-7-8-12)20(19-13)10-11-5-3-2-4-6-11/h2-6,9,12H,7-8,10H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide?
1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-N-cyclopropyl-3-N-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 135319024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).