4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide

C21H22N4O — CID 71845529

IUPAC4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide
SMILESCc1c(C2CC2)nn(-c2ccccc2)c1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H22N4O/c1-14-19(16-11-12-16)24-25(18-5-3-2-4-6-18)21(14)23-13-15-7-9-17(10-8-15)20(22)26/h2-10,16,23H,11-13H2,1H3,(H2,22,26)
InChIKeyGYFWJSTWHVBJDC-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.77
Rot. Bonds6

About 4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide

4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide (PubChem CID 71845529) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide
PubChem CID71845529
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide
SMILESCc1c(C2CC2)nn(-c2ccccc2)c1NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H22N4O/c1-14-19(16-11-12-16)24-25(18-5-3-2-4-6-18)21(14)23-13-15-7-9-17(10-8-15)20(22)26/h2-10,16,23H,11-13H2,1H3,(H2,22,26)
InChIKeyGYFWJSTWHVBJDC-UHFFFAOYSA-N
XLogP3.77
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide?
The IUPAC name of 4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide (CID 71845529) is 4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide is Cc1c(C2CC2)nn(-c2ccccc2)c1NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide?
The InChIKey is GYFWJSTWHVBJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-19(16-11-12-16)24-25(18-5-3-2-4-6-18)21(14)23-13-15-7-9-17(10-8-15)20(22)26/h2-10,16,23H,11-13H2,1H3,(H2,22,26).
What are the key properties of 4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide?
4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide has a molecular weight of 346.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-cyclopropyl-4-methyl-2-phenylpyrazol-3-yl)amino]methyl]benzamide is sourced from PubChem (CID 71845529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).