[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid

C19H15N5O4 — CID 69282225

IUPAC[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid
SMILESCOc1ccc(N(C(=O)O)c2cc(-n3cccn3)nc(-c3ccco3)n2)cc1
InChIInChI=1S/C19H15N5O4/c1-27-14-7-5-13(6-8-14)24(19(25)26)17-12-16(23-10-3-9-20-23)21-18(22-17)15-4-2-11-28-15/h2-12H,1H3,(H,25,26)
InChIKeyCCZXOFILRVAJGK-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.75
Rot. Bonds5

About [2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid

[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid (PubChem CID 69282225) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is [2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid.

Molecular Properties

Compound Name[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid
PubChem CID69282225
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC Name[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid
SMILESCOc1ccc(N(C(=O)O)c2cc(-n3cccn3)nc(-c3ccco3)n2)cc1
InChIInChI=1S/C19H15N5O4/c1-27-14-7-5-13(6-8-14)24(19(25)26)17-12-16(23-10-3-9-20-23)21-18(22-17)15-4-2-11-28-15/h2-12H,1H3,(H,25,26)
InChIKeyCCZXOFILRVAJGK-UHFFFAOYSA-N
XLogP3.75
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide
CID 11380183
N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]propanamide
CID 11737650
N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 59683110
1-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]cyclohexane-1-carboxamide
CID 91123115
methyl 4-(2-phenyl-6-pyrazol-1-ylpyrimidin-4-yl)oxybenzoate
CID 47079750
[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 1084416
1-(4-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886002
methyl N-(3-fluoro-4-pyrazol-1-ylphenyl)-N-phenylcarbamate
CID 174337547
5-[(4-methoxyphenyl)-methylcarbamoyl]furan-3-carboxylic acid
CID 104607461
3-(4-methoxyphenyl)-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122337730
N-(4-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698189
3-methoxy-N-(4-methoxyphenyl)-N-phenylbenzamide
CID 23582269

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid?
The IUPAC name of [2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid (CID 69282225) is [2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid.
What is the SMILES notation for [2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid?
The canonical SMILES for [2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid is COc1ccc(N(C(=O)O)c2cc(-n3cccn3)nc(-c3ccco3)n2)cc1.
What is the InChIKey of [2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid?
The InChIKey is CCZXOFILRVAJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c1-27-14-7-5-13(6-8-14)24(19(25)26)17-12-16(23-10-3-9-20-23)21-18(22-17)15-4-2-11-28-15/h2-12H,1H3,(H,25,26).
What are the key properties of [2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid?
[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid has a molecular weight of 377.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]-(4-methoxyphenyl)carbamic acid is sourced from PubChem (CID 69282225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).