5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide

C20H21N5O2 — CID 89094272

IUPAC5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide
SMILESC=C(C)n1nc(C(=O)NC(C)C)cc1-c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C20H21N5O2/c1-13(2)22-19(26)17-12-18(25(24-17)14(3)4)16-10-11-21-20(23-16)27-15-8-6-5-7-9-15/h5-13H,3H2,1-2,4H3,(H,22,26)
InChIKeyVJJDCONWASXNTI-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.76
Rot. Bonds6

About 5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide

5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide (PubChem CID 89094272) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide
PubChem CID89094272
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide
SMILESC=C(C)n1nc(C(=O)NC(C)C)cc1-c1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C20H21N5O2/c1-13(2)22-19(26)17-12-18(25(24-17)14(3)4)16-10-11-21-20(23-16)27-15-8-6-5-7-9-15/h5-13H,3H2,1-2,4H3,(H,22,26)
InChIKeyVJJDCONWASXNTI-UHFFFAOYSA-N
XLogP3.76
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide (CID 89094272) is 5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide is C=C(C)n1nc(C(=O)NC(C)C)cc1-c1ccnc(Oc2ccccc2)n1.
What is the InChIKey of 5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide?
The InChIKey is VJJDCONWASXNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13(2)22-19(26)17-12-18(25(24-17)14(3)4)16-10-11-21-20(23-16)27-15-8-6-5-7-9-15/h5-13H,3H2,1-2,4H3,(H,22,26).
What are the key properties of 5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide?
5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxypyrimidin-4-yl)-N-propan-2-yl-1-prop-1-en-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 89094272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).