(Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide

C22H19N5O3 — CID 135955414

IUPAC(Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide
SMILESCc1nc(-n2nc(-c3ccco3)cc2NC(=O)/C=C\c2ccccc2)[nH]c(=O)c1C
InChIInChI=1S/C22H19N5O3/c1-14-15(2)23-22(25-21(14)29)27-19(13-17(26-27)18-9-6-12-30-18)24-20(28)11-10-16-7-4-3-5-8-16/h3-13H,1-2H3,(H,24,28)(H,23,25,29)/b11-10-
InChIKeyJUVFUAHLSSHRDY-KHPPLWFESA-N
MW401.43 g/mol
LogP3.48
Rot. Bonds5

About (Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide

(Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide (PubChem CID 135955414) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is (Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide
PubChem CID135955414
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name(Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide
SMILESCc1nc(-n2nc(-c3ccco3)cc2NC(=O)/C=C\c2ccccc2)[nH]c(=O)c1C
InChIInChI=1S/C22H19N5O3/c1-14-15(2)23-22(25-21(14)29)27-19(13-17(26-27)18-9-6-12-30-18)24-20(28)11-10-16-7-4-3-5-8-16/h3-13H,1-2H3,(H,24,28)(H,23,25,29)/b11-10-
InChIKeyJUVFUAHLSSHRDY-KHPPLWFESA-N
XLogP3.48
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide (CID 135955414) is (Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide is Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)/C=C\c2ccccc2)[nH]c(=O)c1C.
What is the InChIKey of (Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide?
The InChIKey is JUVFUAHLSSHRDY-KHPPLWFESA-N. The full InChI is InChI=1S/C22H19N5O3/c1-14-15(2)23-22(25-21(14)29)27-19(13-17(26-27)18-9-6-12-30-18)24-20(28)11-10-16-7-4-3-5-8-16/h3-13H,1-2H3,(H,24,28)(H,23,25,29)/b11-10-.
What are the key properties of (Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide?
(Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide has a molecular weight of 401.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 135955414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).