N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C22H25N7O — CID 37206869

IUPACN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C22H25N7O/c30-21(16-27-11-13-28(14-12-27)22-23-9-4-10-24-22)25-20-15-19(17-7-8-17)26-29(20)18-5-2-1-3-6-18/h1-6,9-10,15,17H,7-8,11-14,16H2,(H,25,30)
InChIKeyODFCBCLSWTWYIO-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.30
Rot. Bonds6

About N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 37206869) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID37206869
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C22H25N7O/c30-21(16-27-11-13-28(14-12-27)22-23-9-4-10-24-22)25-20-15-19(17-7-8-17)26-29(20)18-5-2-1-3-6-18/h1-6,9-10,15,17H,7-8,11-14,16H2,(H,25,30)
InChIKeyODFCBCLSWTWYIO-UHFFFAOYSA-N
XLogP2.30
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 37206869) is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ncccn2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is ODFCBCLSWTWYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c30-21(16-27-11-13-28(14-12-27)22-23-9-4-10-24-22)25-20-15-19(17-7-8-17)26-29(20)18-5-2-1-3-6-18/h1-6,9-10,15,17H,7-8,11-14,16H2,(H,25,30).
What are the key properties of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 403.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 37206869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).