3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide

C17H16N6O — CID 70689605

IUPAC3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C17H16N6O/c18-16(24)11-2-1-3-12(8-11)17-19-7-6-14(21-17)20-15-9-13(22-23-15)10-4-5-10/h1-3,6-10H,4-5H2,(H2,18,24)(H2,19,20,21,22,23)
InChIKeyXESDAULTUOUYHW-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.59
Rot. Bonds5

About 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide

3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide (PubChem CID 70689605) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide
PubChem CID70689605
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide
SMILESNC(=O)c1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/C17H16N6O/c18-16(24)11-2-1-3-12(8-11)17-19-7-6-14(21-17)20-15-9-13(22-23-15)10-4-5-10/h1-3,6-10H,4-5H2,(H2,18,24)(H2,19,20,21,22,23)
InChIKeyXESDAULTUOUYHW-UHFFFAOYSA-N
XLogP2.59
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide?
The IUPAC name of 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide (CID 70689605) is 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide.
What is the SMILES notation for 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide?
The canonical SMILES for 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide is NC(=O)c1cccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1.
What is the InChIKey of 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide?
The InChIKey is XESDAULTUOUYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c18-16(24)11-2-1-3-12(8-11)17-19-7-6-14(21-17)20-15-9-13(22-23-15)10-4-5-10/h1-3,6-10H,4-5H2,(H2,18,24)(H2,19,20,21,22,23).
What are the key properties of 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide?
3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide has a molecular weight of 320.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 70689605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).